Molecule ID: 18506589

IUPAC Name: 2-hydroxy-3-methylpentanoate

Description: The molecule is a 2-hydroxy fatty acid anion that is the conjugate base of 2-hydroxy-3-methylpentanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a branched-chain fatty acid anion, a 2-hydroxy fatty acid anion and a short-chain fatty acid. It is a conjugate base of a 2-hydroxy-3-methylpentanoic acid.

SMILES: CCC(C)C(O)C(=O)[O-]

SELFIES: [C][C][C][Branch1][C][C][C][Branch1][C][O][C][=Branch1][C][=O][O-1]

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

Molecular Properties:
- Polar Surface Area: 60.4 Ų
- LogP: 1.5