Molecule ID: 6950389

IUPAC Name: (2S)-2-hydroxy-3-methylbutanoate

Description: The molecule is the S-enantiomer of 2-hydroxy-3-methylbutyrate. The conjugate base of (S)-2-hydroxy-3-methylbutyric acid, formed by loss of a proton from the carboxy group, it is the major species present at physiological pH. It has a role as a human metabolite. It is a conjugate base of a (S)-2-hydroxy-3-methylbutyric acid. It is an enantiomer of a (R)-2-hydroxy-3-methylbutyrate.

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

SELFIES: [C][C][Branch1][C][C][C@H1][Branch1][C][O][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/p-1/t4-/m0/s1

Molecular Properties:
- Polar Surface Area: 60.4 Ų
- LogP: 1.2