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MFCD04038981 molecular structure
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1-cyclopentylazetidine-2-carboxylic acid

ChemBase ID: 91379
Molecular Formular: C9H15NO2
Molecular Mass: 169.2209
Monoisotopic Mass: 169.11027873
SMILES and InChIs

SMILES:
N1(C2CCCC2)C(C(=O)O)CC1
Canonical SMILES:
OC(=O)C1CCN1C1CCCC1
InChI:
InChI=1S/C9H15NO2/c11-9(12)8-5-6-10(8)7-3-1-2-4-7/h7-8H,1-6H2,(H,11,12)
InChIKey:
FUCQOVYPBMMTMO-UHFFFAOYSA-N

Cite this record

CBID:91379 http://www.chembase.cn/molecule-91379.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-cyclopentylazetidine-2-carboxylic acid
IUPAC Traditional name
1-cyclopentylazetidine-2-carboxylic acid
Synonyms
1-Cyclopentylazetidine-2-carboxylic acid
MDL Number
MFCD04038981
PubChem SID
162078078
PubChem CID
4385243

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 4385243 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.7617671  H Acceptors
H Donor LogD (pH = 5.5) -1.6073322 
LogD (pH = 7.4) -1.6077139  Log P -1.6072996 
Molar Refractivity 45.1276 cm3 Polarizability 17.901073 Å3
Polar Surface Area 40.54 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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