l-Valine, ethyl ester

HCID 87182CAS 17431-03-7
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Basic information

Standard SMILES
CCOC(=O)[C@@H](N)C(C)C
InChIKey
BQIVJVAZDJHDJF-LURJTMIESA-N
Molecular formula
C7H15NO2
Average molar mass
145.2 g/mol
Monoisotopic mass
145.11027872

Names & identifiers

Preferred name
l-Valine, ethyl ester
IUPAC
ethyl (2S)-2-amino-3-methylbutanoate

Names & synonyms

l-Valine, ethyl esterRefChem:108830418705-85-6ethyl L-valinate17431-03-7ethyl (2S)-2-amino-3-methylbutanoateValine ethyl esterL-Valine ethyl esterMFCD12796096Valine, ethyl ester, l-(S)-Valine ethyl esterSCHEMBL135322
Show more names
SCHEMBL2720464CHEMBL2074934SCHEMBL14638645(S)-Ethyl2-amino-3-methylbutanoateAKOS015932681BS-3175CS-0448285EN300-864029

Database identifiers

CAS
17431-03-7
PubChem CID
87182
ChEMBL
CHEMBL2074934
Nikkaji
J105.257H

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
52.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
10

Experimental & physicochemical properties

Kovats Retention Index · 2 items

992；992

1017；1017

Related reactions

5 records
New reaction record

Linked notes

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