Molecular Identity
L-Isoleucine
(2S,3S)-2-amino-3-methylpentanoic acid
PubChem CID: 6306
L-isoleucine is the L-enantiomer of isoleucine. It has a role as a mouse metabolite, a Saccharomyces cerevisiae metabolite, a plant metabolite, an Escherichia coli metabolite, a human metabolite and an algal metabolite. It is a L-alpha-amino acid, an aspartate family amino acid, an isoleucine and a proteinogenic amino acid. It is a conjugate base of a L-isoleucinium. It is a conjugate acid of a L-isoleucinate. It is an enantiomer of a D-isoleucine. It is a tautomer of a L-isoleucine zwitterion.
2D Structure
Properties
C6H13NO2
Molecular Formula
131.17
Molecular Weight
g/mol
131.0946
Exact Mass
Da
-1.7
XLogP
Drug-like (Lipinski: < 5)
63.3
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
3
H-Bond Acceptors
103
Complexity
SMILES
Canonical SMILES
SMILES: CCC(C)C(C(=O)O)NIsomeric SMILES
SMILES: CC[C@H](C)[C@@H](C(=O)O)NSynonyms(20)
l-isoleucineIsoleucine73-32-5(2S,3S)-2-Amino-3-methylpentanoic acid2S,3S-Isoleucine(S)-Isoleucine(S,S)-Isoleucine2-Amino-3-methylvaleric aciderythro-L-IsoleucineL-IleIsoleucinaalpha-Amino-beta-methylvaleric acidNorvaline, 3-methyl-Valeric acid, 2-amino-3-methyl-Isoleucinum
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to L-Isoleucine
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