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6331-09-5 molecular structure
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ethyl (2R)-2-aminopropanoate hydrochloride

ChemBase ID: 289331
Molecular Formular: C5H12ClNO2
Molecular Mass: 153.60728
Monoisotopic Mass: 153.05565631
SMILES and InChIs

SMILES:
N[C@H](C)C(=O)OCC.Cl
Canonical SMILES:
CCOC(=O)[C@H](N)C.Cl
InChI:
InChI=1S/C5H11NO2.ClH/c1-3-8-5(7)4(2)6;/h4H,3,6H2,1-2H3;1H/t4-;/m1./s1
InChIKey:
JCXLZWMDXJFOOI-PGMHMLKASA-N

Cite this record

CBID:289331 http://www.chembase.cn/molecule-289331.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl (2R)-2-aminopropanoate hydrochloride
IUPAC Traditional name
ethyl (2R)-2-aminopropanoate hydrochloride
Synonyms
D-Alanine ethyl ester hydrochloride
CAS Number
6331-09-5
MDL Number
MFCD00190725
PubChem SID
180674862
PubChem CID
10236019

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD21922 Please log in.
Data Source Data ID
PubChem 10236019 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.8947291  LogD (pH = 7.4) -0.34745887 
Log P -0.0760093  Molar Refractivity 30.015 cm3
Polarizability 12.24825 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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