Home > Compound List > Compound details
 molecular structure
click picture or here to close

(2S)-2-amino-1-[3-(2,6-dimethylphenoxy)azetidin-1-yl]propan-1-one

ChemBase ID: 341147
Molecular Formular: C14H20N2O2
Molecular Mass: 248.3208
Monoisotopic Mass: 248.15247789
SMILES and InChIs

SMILES:
N1(C(=O)[C@@H](N)C)CC(C1)Oc1c(cccc1C)C
Canonical SMILES:
C[C@@H](C(=O)N1CC(C1)Oc1c(C)cccc1C)N
InChI:
InChI=1S/C14H20N2O2/c1-9-5-4-6-10(2)13(9)18-12-7-16(8-12)14(17)11(3)15/h4-6,11-12H,7-8,15H2,1-3H3/t11-/m0/s1
InChIKey:
SBLIWCAQBUYUDN-NSHDSACASA-N

Cite this record

CBID:341147 http://www.chembase.cn/molecule-341147.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-2-amino-1-[3-(2,6-dimethylphenoxy)azetidin-1-yl]propan-1-one
IUPAC Traditional name
(2S)-2-amino-1-[3-(2,6-dimethylphenoxy)azetidin-1-yl]propan-1-one
Synonyms
(2S)-1-[3-(2,6-dimethylphenoxy)-1-azetidinyl]-1-oxo-2-propanamine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 13979026 external link Add to cart
Data Source Data ID Price
ChemBridge
13979026 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) -1.0292462  LogD (pH = 7.4) 0.6003506 
Log P 1.6208327  Molar Refractivity 70.4487 cm3
Polarizability 27.589392 Å3 Polar Surface Area 55.56 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.54  LOG S -2.33 
Polar Surface Area 55.56 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle