Molecule ID: 857

IUPAC Name: 2-amino-4-methylpentanoic acid

Description: The molecule is a branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isobutyl group. It has a role as a Daphnia magna metabolite. It is a branched-chain amino acid and an alpha-amino acid. It contains an isobutyl group. It is a conjugate base of a leucinium. It is a conjugate acid of a leucinate.

SMILES: CC(C)CC(N)C(=O)O

SELFIES: [C][C][Branch1][C][C][C][C][Branch1][C][N][C][=Branch1][C][=O][O]

InChI: InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)

Molecular Properties:
- Polar Surface Area: 63.3 Ų
- LogP: -1.5