Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C4H5NO3

Suppliers	Catalog Number
Matrix Scientific	053911
Bide Pharmatech	BD165767

Database	Data ID
PubChem	3488064

M. W.

115.0874

CAS

98019-65-9

Similarity

N/A

ID: 50402

1-methyl-4-oxoazetidine-2-carboxylic acid

$$$$ Data

M. F.

C5H7NO3

Suppliers	Catalog Number
Matrix Scientific	053912

Database	Data ID
PubChem	53408280

M. W.

129.11398

CAS

Similarity

N/A

ID: 50403

1-ethyl-4-oxoazetidine-2-carboxylic acid

$$$$ Data

M. F.

C6H9NO3

Suppliers	Catalog Number
Matrix Scientific	053913

Database	Data ID
PubChem	53408279

M. W.

143.14056

CAS

Similarity

N/A

ID: 50404

4-oxo-1-propylazetidine-2-carboxylic acid

$$$$ Data

M. F.

C7H11NO3

Suppliers	Catalog Number
Matrix Scientific	053914

Database	Data ID
PubChem	53410117

M. W.

157.16714

CAS

Similarity

N/A

ID: 50405

1-benzyl-4-oxoazetidine-2-carboxylic acid

$$$$ Data

M. F.

C11H11NO3

Suppliers	Catalog Number
Matrix Scientific	053915

Database	Data ID
PubChem	18450314

M. W.

205.20994

CAS

Similarity

N/A

ID: 50406

1-[(3-methoxyphenyl)methyl]-4-oxoazetidine-2-carboxylic acid

$$$$ Data

M. F.

C12H13NO4

Suppliers	Catalog Number
Matrix Scientific	053916

Database	Data ID
PubChem	56832288

M. W.

235.23592

CAS

Similarity

N/A

ID: 50407

N,N-dimethylazetidin-3-amine dihydrochloride

$$$$ Data More

M. F.

C5H14Cl2N2

Suppliers	Catalog Number
Matrix Scientific	053917
Enamine	EN300-121252
Bide Pharmatech	BD226814

Database	Data ID
PubChem	22121220

M. W.

173.08406

CAS

124668-49-1

Similarity

N/A

ID: 50408

N,N-diethylazetidin-3-amine dihydrochloride

$$$$ Data

M. F.

C7H18Cl2N2

Suppliers	Catalog Number
Matrix Scientific	053918

Database	Data ID
PubChem	19423807

M. W.

201.13722

CAS

55438-75-0

Similarity

N/A

ID: 50409

1-(azetidin-3-yl)pyrrolidine dihydrochloride

$$$$ Data

M. F.

C7H16Cl2N2

Suppliers	Catalog Number
Matrix Scientific	053919

Database	Data ID
PubChem	19423677

M. W.

199.12134

CAS

149105-96-4

Similarity

N/A

ID: 50410

1-(azetidin-3-yl)piperidine

$$$$ Data

M. F.

C8H16N2

Suppliers	Catalog Number
ChemBridge	4026694
Matrix Scientific	053920

Database	Data ID
PubChem	19391152

M. W.

140.22604

CAS

138022-86-3

Similarity

N/A

ID: 50411

4-(azetidin-3-yl)morpholine dihydrochloride

$$$$ Data

M. F.

C7H16Cl2N2O

Suppliers	Catalog Number
ChemBridge	4087898
Matrix Scientific	053921

Database	Data ID
PubChem	22061326

M. W.

215.12074

CAS

178312-50-0

Similarity

N/A

ID: 50412

N-(azetidin-3-yl)benzamide

$$$$ Data

M. F.

C10H12N2O

Suppliers	Catalog Number
Matrix Scientific	053922

Database	Data ID
PubChem	53410704

M. W.

176.21508

CAS

Similarity

N/A

ID: 50413

N-(azetidin-3-yl)cyclopentanecarboxamide

$$$$ Data

M. F.

C9H16N2O

Suppliers	Catalog Number
Matrix Scientific	053923

Database	Data ID
PubChem	53410706

M. W.

168.23614

CAS

Similarity

N/A

ID: 50414

N-(azetidin-3-yl)cyclobutanecarboxamide

$$$$ Data

M. F.

C8H14N2O

Suppliers	Catalog Number
Matrix Scientific	053924

Database	Data ID
PubChem	53410705

M. W.

154.20956

CAS

Similarity

N/A

ID: 50415

N-(azetidin-3-yl)-3-methoxybenzamide

$$$$ Data

M. F.

C11H14N2O2

Suppliers	Catalog Number
Matrix Scientific	053925

Database	Data ID
PubChem	53410703

M. W.

206.24106

CAS

Similarity

N/A

ID: 50416

1-benzoylazetidin-3-amine

$$$$ Data

M. F.

C10H12N2O

Suppliers	Catalog Number
Matrix Scientific	053926

Database	Data ID
PubChem	45123074

M. W.

176.21508

CAS

887588-62-7

Similarity

N/A

ID: 50417

2-amino-1-(3-hydroxyazetidin-1-yl)-3-phenylpropan-1-one

$$$$ Data

M. F.

C12H16N2O2

Suppliers	Catalog Number
Matrix Scientific	053927

Database	Data ID
PubChem	22610289

M. W.

220.26764

CAS

Similarity

N/A

ID: 50418

3-amino-1-(3-hydroxyazetidin-1-yl)propan-1-one

$$$$ Data

M. F.

C6H12N2O2

Suppliers	Catalog Number
Matrix Scientific	053928

Database	Data ID
PubChem	53409663

M. W.

144.17168

CAS

Similarity

N/A

ID: 50419

1-(3-aminopropyl)azetidin-3-ol

$$$$ Data

M. F.

C6H14N2O

Suppliers	Catalog Number
Matrix Scientific	053929

Database	Data ID
PubChem	53402692

M. W.

130.18816

CAS

Similarity

N/A

ID: 50420

2-(4-methoxyphenyl)azetidine

$$$$ Data

M. F.

C10H13NO

Suppliers	Catalog Number
Matrix Scientific	053930

Database	Data ID
PubChem	53408761

M. W.

163.21632

CAS

Similarity

N/A

ID: 50421

2-(thiophen-2-yl)azetidine

$$$$ Data

M. F.

C7H9NS

Suppliers	Catalog Number
ChemBridge	4019051
Matrix Scientific	053931

Database	Data ID
PubChem	43150986

M. W.

139.21806

CAS

777886-76-7

Similarity

N/A

ID: 50422

1-(pyrrolidine-2-carbonyl)azetidin-3-ol

$$$$ Data

M. F.

C8H14N2O2

Suppliers	Catalog Number
Matrix Scientific	053932

Database	Data ID
PubChem	55280126

M. W.

170.20896

CAS

Similarity

N/A

ID: 50423

1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid

$$$$ Data More

M. F.

C8H13NO4

Suppliers	Catalog Number
Sigma Aldrich	CBR00527
ChemBridge	4002893
Matrix Scientific	053934

Database	Data ID
PubChem	3146690

M. W.

187.19312

CAS

407634-05-3

Similarity

N/A

ID: 50424

4-amino-1-propylpyrrolidin-2-one

$$$$ Data

M. F.

C7H14N2O

Suppliers	Catalog Number
ChemBridge	4014080
Matrix Scientific	053935

Database	Data ID
PubChem	43521156

M. W.

142.19886

CAS

Similarity

N/A

ID: 50425

4-amino-1-(2-methoxyethyl)pyrrolidin-2-one

$$$$ Data

M. F.

C7H14N2O2

Suppliers	Catalog Number
ChemBridge	4026385
Matrix Scientific	053936

Database	Data ID
PubChem	43521171

M. W.

158.19826

CAS

Similarity

N/A

ID: 50426

4-amino-1-(2-ethoxyethyl)pyrrolidin-2-one

$$$$ Data

M. F.

C8H16N2O2

Suppliers	Catalog Number
Matrix Scientific	053937

Database	Data ID
PubChem	43591450

M. W.

172.22484

CAS

Similarity

N/A

ID: 50427

4-methyl-1,4-diazepan-5-one hydrochloride

$$$$ Data

M. F.

C6H13ClN2O

Suppliers	Catalog Number
Matrix Scientific	053938

Database	Data ID
PubChem	18506888

M. W.

164.63322

CAS

Similarity

N/A

ID: 50428

4-ethyl-1,4-diazepan-5-one

$$$$ Data

M. F.

C7H14N2O

Suppliers	Catalog Number
Matrix Scientific	053939

Database	Data ID
PubChem	53410108

M. W.

142.19886

CAS

Similarity

N/A

ID: 50429

4-propyl-1,4-diazepan-5-one hydrochloride

$$$$ Data

M. F.

C8H17ClN2O

Suppliers	Catalog Number
Matrix Scientific	053940

Database	Data ID
PubChem	53410163

M. W.

192.68638

CAS

Similarity

N/A

ID: 50430

4-benzyl-1,4-diazepan-5-one hydrochloride

$$$$ Data

M. F.

C12H17ClN2O

Suppliers	Catalog Number
Matrix Scientific	053941

Database	Data ID
PubChem	66524047

M. W.

240.72918

CAS

Similarity

N/A

ID: 50431

4-(2-methoxyethyl)-1,4-diazepan-5-one

$$$$ Data

M. F.

C8H16N2O2

Suppliers	Catalog Number
Matrix Scientific	053942

Database	Data ID
PubChem	53409879

M. W.

172.22484

CAS

Similarity

N/A

ID: 50432

4-(2-ethoxyethyl)-1,4-diazepan-5-one

$$$$ Data

M. F.

C9H18N2O2

Suppliers	Catalog Number
Matrix Scientific	053943

Database	Data ID
PubChem	53409875

M. W.

186.25142

CAS

Similarity

N/A

ID: 50433

4-butyl-1,4-diazepan-5-one

$$$$ Data

M. F.

C9H18N2O

Suppliers	Catalog Number
Matrix Scientific	053944

Database	Data ID
PubChem	53410085

M. W.

170.25202

CAS

Similarity

N/A

ID: 50434

4-(cyclopropylmethyl)-1,4-diazepan-5-one

$$$$ Data

M. F.

C9H16N2O

Suppliers	Catalog Number
Matrix Scientific	053945

Database	Data ID
PubChem	53409934

M. W.

168.23614

CAS

Similarity

N/A

ID: 50435

2-phenyl-5H,6H,7H-pyrrolo[3,4-d]pyrimidin-4-ol

$$$$ Data

M. F.

C12H11N3O

Suppliers	Catalog Number
Matrix Scientific	053946

Database	Data ID
PubChem	56832289

M. W.

213.23524

CAS

Similarity

N/A

ID: 50436

4-(oxolan-2-ylmethyl)-1,4-diazepan-5-one

$$$$ Data

M. F.

C10H18N2O2

Suppliers	Catalog Number
Matrix Scientific	053947

Database	Data ID
PubChem	53409938

M. W.

198.26212

CAS

Similarity

N/A

ID: 50437

4-[(4-fluorophenyl)methyl]-1,4-diazepan-5-one

$$$$ Data

M. F.

C12H15FN2O

Suppliers	Catalog Number
Matrix Scientific	053948

Database	Data ID
PubChem	53409908

M. W.

222.2587032

CAS

Similarity

N/A

ID: 50438

4-[(3-fluorophenyl)methyl]-1,4-diazepan-5-one

$$$$ Data

M. F.

C12H15FN2O

Suppliers	Catalog Number
Matrix Scientific	053949

Database	Data ID
PubChem	6500439

M. W.

222.2587032

CAS

Similarity

N/A

ID: 50439

4-[(3-methoxyphenyl)methyl]-1,4-diazepan-5-one

$$$$ Data

M. F.

C13H18N2O2

Suppliers	Catalog Number
Matrix Scientific	053950

Database	Data ID
PubChem	53409891

M. W.

234.29422

CAS

Similarity

N/A

ID: 50440

4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one

$$$$ Data

M. F.

C13H18N2O2

Suppliers	Catalog Number
Matrix Scientific	053951

Database	Data ID
PubChem	53409911

M. W.

234.29422

CAS

Similarity

N/A

ID: 50441

4-[(2-methoxyphenyl)methyl]-1,4-diazepan-5-one

$$$$ Data

M. F.

C13H18N2O2

Suppliers	Catalog Number
Matrix Scientific	053952

Database	Data ID
PubChem	53409878

M. W.

234.29422

CAS

Similarity

N/A

ID: 50442

4-[(2-fluorophenyl)methyl]-1,4-diazepan-5-one

$$$$ Data

M. F.

C12H15FN2O

Suppliers	Catalog Number
Matrix Scientific	053953

Database	Data ID
PubChem	53409876

M. W.

222.2587032

CAS

Similarity

N/A

ID: 50443

4-[(2-methylphenyl)methyl]-1,4-diazepan-5-one

$$$$ Data

M. F.

C13H18N2O

Suppliers	Catalog Number
Matrix Scientific	053954

Database	Data ID
PubChem	53409880

M. W.

218.29482

CAS

Similarity

N/A

ID: 50444

4-[(3-methylphenyl)methyl]-1,4-diazepan-5-one

$$$$ Data

M. F.

C13H18N2O

Suppliers	Catalog Number
Matrix Scientific	053955

Database	Data ID
PubChem	53409894

M. W.

218.29482

CAS

Similarity

N/A

ID: 50445

4-[(4-methylphenyl)methyl]-1,4-diazepan-5-one

$$$$ Data

M. F.

C13H18N2O

Suppliers	Catalog Number
Matrix Scientific	053956

Database	Data ID
PubChem	53409912

M. W.

218.29482

CAS

Similarity

N/A

ID: 50446

4-[(4-chlorophenyl)methyl]-1,4-diazepan-5-one

$$$$ Data

M. F.

C12H15ClN2O

Suppliers	Catalog Number
Matrix Scientific	053957

Database	Data ID
PubChem	25115997

M. W.

238.7133

CAS

Similarity

N/A

ID: 50447

ethyl 2-[(3Z)-piperidin-3-ylidene]acetate

$$$$ Data

M. F.

C9H15NO2

Suppliers	Catalog Number
Matrix Scientific	053958

Database	Data ID
PubChem	55280237

M. W.

169.2209

CAS

Similarity

N/A

ID: 50448

ethyl 2-(piperidin-3-yl)acetate

$$$$ Data More

M. F.

C9H17NO2

Suppliers	Catalog Number
Matrix Scientific	053959
Apollo Scientific	OR0951
Life Chemicals	F2196-0059

Database	Data ID
PubChem	2760464

M. W.

171.23678

CAS

64995-88-6

Similarity

N/A

ID: 50449

2-(1-methylpiperidin-3-yl)acetic acid

$$$$ Data

M. F.

C8H15NO2

Suppliers	Catalog Number
Matrix Scientific	053960

Database	Data ID
PubChem	10511128

M. W.

157.2102

CAS

169253-08-1

Similarity

N/A

ID: 50450

2-(1-ethylpiperidin-3-yl)acetic acid

$$$$ Data

M. F.

C9H17NO2

Suppliers	Catalog Number
Matrix Scientific	053961

Database	Data ID
PubChem	17934565

M. W.

171.23678

CAS

Similarity

N/A

Part I: Carbon
- I.1: Carbon-Carbon Bonds
- I.1.1 Alkanes
- Primary carbon
- Secondary carbon
- Tertiary carbon
- Quaternary carbon
- I.1.2 C-C double and Triple Bonds
- Alkene
- Alkyne
- Allene
- I.2: One Carbon-Hetero Bond
- I.2.1 Alkyl Halogenides
- Alkylchloride
- Alkylfluoride
- Alkylbromide
- Alkyliodide
- I.2.2 Alcohols and Ethers
- Alcohol
- Primary alcohol
- Secondary alcohol
- Tertiary alcohol
- Dialkylether
- Dialkylthioether
- Alkylarylether
- Diarylether
- Alkylarylthioether
- Diarylthioether
- Oxonium
- I.2.3 Amines
- Amine
- Primary aliphatic amine
- Secondary aliphatic amine
- Tertiary aliphatic amine
- Quaternary aliphatic ammonium
- Primary aromatic amine
- Secondary aromatic amine
- Tertiary aromatic amine
- Quaternary aromatic ammonium
- Secondary mixed amine
- Tertiary mixed amine
- Quaternary mixed ammonium
- Ammonium
- I.2.4 Others
- Alkylthiol
- Dialkylthioether
- Alkylarylthioether
- Disulfide
- 1,2-Aminoalcohol
- 1,2-Diol
- 1,1-Diol
- Hydroperoxide
- Peroxo
- Organolithium compounds
- Organomagnesium compounds
- Organometallic compounds
- I.3: Two Carbon-Hetero Bonds (Carbonyl and Derivatives)
- I.3.1 Double Bond to Hetero
- Aldehyde
- Ketone
- Thioaldehyde
- Thioketone
- Imine
- Immonium
- Oxime
- Oximether
- I.3.2. Two Single Bonds to Hetero
- Acetal
- Hemiacetal
- Aminal
- Hemiaminal
- Thioacetal
- Thiohemiacetal
- Halogen acetal like
- Acetal like
- Halogenmethylen ester and similar
- NOS methylen ester and similar
- Hetero methylen ester and similar
- Cyanhydrine
- I.3.3 Single Bond to Hetero, C=C Double Bond (Enols and Similar)
- Chloroalkene
- Fluoroalkene
- Bromoalkene
- Iodoalkene
- Enol
- Endiol
- Enolether
- Enolester
- Enamine
- Thioenol
- Thioenolether
- I.4: Three Carbon-Hetero Bonds (Carboxyl and Derivatives)
- Acylchloride
- Acylfluoride
- Acylbromide
- Acyliodide
- Acylhalide
- Carboxylic acid
- Carboxylic ester
- Lactone
- Carboxylic anhydride
- Carboxylic acid derivative
- Carbothioic acid
- Carbothioic S ester
- Carbothioic S lactone
- Carbothioic O ester
- Carbothioic O lactone
- Carbothioic halide
- Carbodithioic acid
- Carbodithioic ester
- Carbodithiolactone
- Amide
- Primary amide
- Secondary amide
- Tertiary amide
- Lactam
- Alkyl imide
- N hetero imide
- Imide acidic
- Thioamide
- Thiolactam
- Oximester
- Amidine
- Hydroxamic acid
- Hydroxamic acid ester
- Imidoacid
- Imidoacid cyclic
- Imidoester
- Imidolactone
- Imidothioacid
- Imidothioacid cyclic
- Imidothioester
- Imidothiolactone
- Amidine
- Imidolactam
- Imidoylhalide
- Imidoylhalide cyclic
- Amidrazone
- Alpha aminoacid
- Alpha hydroxyacid
- Peptide middle
- Peptide C term
- Peptide N term
- Carboxylic orthoester
- Ketene
- Ketenacetal
- Nitrile
- Isonitrile
- Vinylogous carbonyl or carboxyl derivative
- Vinylogous acid
- Vinylogous ester
- Vinylogous amide
- Vinylogous halide
- I.5: Four Carbon-Hetero Bonds (Carbonic Acid and Derivatives)
- Carbonic acid dieester
- Carbonic acid esterhalide
- Carbonic acid monoester
- Carbonic acid derivatives
- Thiocarbonic acid dieester
- Thiocarbonic acid esterhalide
- Thiocarbonic acid monoester
- Urea
- Thiourea
- Isourea
- Isothiourea
- Guanidine
- Carbaminic acid
- Urethan(Carbamate ester)
- Biuret
- Semicarbazide
- Carbazide
- Semicarbazone
- Carbazone
- Thiosemicarbazide
- Thiocarbazide
- Thiosemicarbazone
- Thiocarbazone
- Isocyanate
- Cyanate
- Isothiocyanate
- Thiocyanate
- Carbodiimide
- Orthocarbonic derivatives
- I.6 Aromatics
- Phenol
- 1,2-Diphenol
- Arylchloride
- Arylfluoride
- Arylbromide
- Aryliodide
- Arylthiol
- Iminoarene
- Oxoarene
- Thioarene
- Hetero N basic H
- Hetero N basic no H
- Hetero N nonbasic
- Hetero O
- Hetero S
- Heteroaromatic
Part II: N, S, P, Si, B
- II.1 Nitrogen
- Nitrite
- Thionitrite
- Nitrate
- Nitro
- Nitroso
- Azide
- Acylazide
- Diazo
- Diazonium
- Nitrosamine
- Nitrosamide
- N-Oxide
- Hydrazine
- Hydrazone
- Hydroxylamine
- II.2 Sulfur
- Sulfon
- Sulfoxide
- Sulfonium
- Sulfuric acid
- Sulfuric monoester
- Sulfuric diester
- Sulfuric monoamide
- Sulfuric diamide
- Sulfuric esteramide
- Sulfuric derivative
- Sulfonic acid
- Sulfonamide
- Sulfonic ester
- Sulfonic halide
- Sulfonic derivative
- Sulfinic acid
- Sulfinic amide
- Sulfinic ester
- Sulfinic halide
- Sulfinic derivative
- Sulfenic acid
- Sulfenic amide
- Sulfenic ester
- Sulfenic halide
- Sulfenic derivative
- II.3 Phosphorous
- Phosphine
- Phosphine oxide
- Phosphonium
- Phosphorylen
- Phosphonic acid
- Phosphonic monoester
- Phosphonic diester
- Phosphonic monoamide
- Phosphonic diamide
- Phosphonic esteramide
- Phosphonic acid derivative
- Phosphoric acid
- Phosphoric monoester
- Phosphoric diester
- Phosphoric triester
- Phosphoric monoamide
- Phosphoric diamide
- Phosphoric triamide
- Phosphoric monoestermonoamide
- Phosphoric diestermonoamide
- Phosphoric monoesterdiamide
- Phosphoric acid derivative
- Phosphinic acid
- Phosphinic ester
- Phosphinic amide
- Phosphinic acid derivative
- Phosphonous acid
- Phosphonous monoester
- Phosphonous diester
- Phosphonous monoamide
- Phosphonous diamide
- Phosphonous esteramide
- Phosphonous derivatives
- Phosphinous acid
- Phosphinous ester
- Phosphinous amide
- Phosphinous derivatives
- II.4 Silicon
- Quart silane
- Non-quart silane
- Silylmonohalide
- Het trialkylsilane
- Dihet dialkylsilane
- Trihet alkylsilane
- Silicic acid derivative
- II.5 Boron
- Trialkylborane
- Boric acid derivatives
- Boronic acid derivative
- Borohydride
- Quaternary boron
Part III: Some Special Patterns
- III.1 Chains
- III.2 Rings
- Aromatic
- Heterocyclic
- Epoxide
- NH aziridine
- Spiro
- Annelated rings
- Bridged rings
- III.3 Sugars and Nucleosides/Nucleotides, Steroids
- Sugar pattern 1
- Sugar pattern 2
- Sugar pattern combi
- Sugar pattern 2 reducing
- Sugar pattern 2 alpha
- Sugar pattern 2 beta
- III.4 Everything else...
- Conjugated double bond
- Conjugated tripple bond
- Cis double bond
- Trans double bond
- Mixed anhydrides
- Halogen on hetero
- Halogen multi subst
- Trifluoromethyl
- C ONS bond
- Charged
- Anion
- Kation
- Salt
- 1,3-Tautomerizable
- 1,5-Tautomerizable
- Rotatable bond
- Michael acceptor
- Dicarbodiazene
- CH-acidic
- CH-acidic strong
- Chiral center specified