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14328-62-2 molecular structure
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methyl (2S)-2-amino-2-cyclopentylacetate hydrochloride

ChemBase ID: 287306
Molecular Formular: C8H16ClNO2
Molecular Mass: 193.67114
Monoisotopic Mass: 193.08695644
SMILES and InChIs

SMILES:
O=C(OC)[C@@H](N)C1CCCC1.Cl
Canonical SMILES:
COC(=O)[C@H](C1CCCC1)N.Cl
InChI:
InChI=1S/C8H15NO2.ClH/c1-11-8(10)7(9)6-4-2-3-5-6;/h6-7H,2-5,9H2,1H3;1H/t7-;/m0./s1
InChIKey:
OQEFEOSHQDCMLN-FJXQXJEOSA-N

Cite this record

CBID:287306 http://www.chembase.cn/molecule-287306.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl (2S)-2-amino-2-cyclopentylacetate hydrochloride
IUPAC Traditional name
methyl (2S)-2-amino-2-cyclopentylacetate hydrochloride
Synonyms
(S)-Methyl 2-amino-2-cyclopentylacetate hydrochloride
CAS Number
14328-62-2
PubChem SID
180672837
PubChem CID
51358379

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD136030 Please log in.
Data Source Data ID
PubChem 51358379 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.051267  LogD (pH = 7.4) 0.5474004 
Log P 0.8800894  Molar Refractivity 41.6618 cm3
Polarizability 17.03371 Å3 Polar Surface Area 52.32 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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