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1664-35-3 molecular structure
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ethyl 1-aminocyclopentane-1-carboxylate

ChemBase ID: 263256
Molecular Formular: C8H15NO2
Molecular Mass: 157.2102
Monoisotopic Mass: 157.11027873
SMILES and InChIs

SMILES:
C(=O)(C1(N)CCCC1)OCC
Canonical SMILES:
CCOC(=O)C1(N)CCCC1
InChI:
InChI=1S/C8H15NO2/c1-2-11-7(10)8(9)5-3-4-6-8/h2-6,9H2,1H3
InChIKey:
NLLGKNYQDQBMFW-UHFFFAOYSA-N

Cite this record

CBID:263256 http://www.chembase.cn/molecule-263256.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 1-aminocyclopentane-1-carboxylate
IUPAC Traditional name
ethyl 1-aminocyclopentane-1-carboxylate
Synonyms
ethyl 1-aminocyclopentane-1-carboxylate
ethyl 1-aminocyclopentanecarboxylate
CAS Number
1664-35-3
MDL Number
MFCD02663001
PubChem SID
164319166
PubChem CID
222862

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 222862 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.217551  LogD (pH = 7.4) 0.45285395 
Log P 0.9380755  Molar Refractivity 41.9741 cm3
Polarizability 17.03371 Å3 Polar Surface Area 52.32 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.153 expand Show data source
Purity
95% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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