Molecule ID: 10820562

IUPAC Name: (2R,3S)-2-hydroxy-3-methylpentanoic acid

Description: The molecule is a valeric acid derivative having an (R)-hydroxy substituent at the 2-position and an (S)-methyl substituent at the 3-position; one of 4 steroisomers of 2-hydroxy-3-methylpentanoic acid, generated by isoleucine metabolism. Found at significantly higher levels than normal in patients with maple syrup urine disease (MSUD). It is a (2R)-2-hydroxy monocarboxylic acid and a 2-hydroxy-3-methylpentanoic acid. It derives from a valeric acid. It is a conjugate acid of a (2R,3S)-2-hydroxy-3-methylpentanoate.

SMILES: CC[C@H](C)[C@@H](O)C(=O)O

SELFIES: [C][C][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C6H12O3/c1-3-4(2)5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t4-,5+/m0/s1

Molecular Properties:
- Polar Surface Area: 57.5 Ų
- LogP: 0.9