Molecular Identity
L-Valine
(2S)-2-amino-3-methylbutanoic acid
PubChem CID: 6287
L-valine is the L-enantiomer of valine. It has a role as a micronutrient, a nutraceutical, a mouse metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite, a human metabolite and an algal metabolite. It is a L-alpha-amino acid, a pyruvate family amino acid, a valine and a proteinogenic amino acid. It is a conjugate base of a L-valinium. It is a conjugate acid of a L-valinate. It is an enantiomer of a D-valine. It is a tautomer of a L-valine zwitterion.
2D Structure
Properties
C5H11NO2
Molecular Formula
117.15
Molecular Weight
g/mol
117.0790
Exact Mass
Da
-2.3
XLogP
Drug-like (Lipinski: < 5)
63.3
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
3
H-Bond Acceptors
90
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)C(C(=O)O)NIsomeric SMILES
SMILES: CC(C)[C@@H](C(=O)O)NSynonyms(20)
L-valinevaline72-18-4(S)-Valine(2S)-2-amino-3-methylbutanoic acid(S)-2-Amino-3-methylbutanoic acid2-Amino-3-methylbutyric acid(S)-2-Amino-3-methylbutyric acidvalinaL-alpha-Amino-beta-methylbutyric acidL-valinValinum(S)-alpha-Amino-beta-methylbutyric acidNSC-76038l-(+)-alpha-Aminoisovaleric acid
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to L-Valine
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