Molecule ID: 6857401

IUPAC Name: (3S)-3-methyl-2-oxopentanoate

Description: The molecule is the conjugate base of (S)-3-methyl-2-oxopentanoic acid. It has a role as a Saccharomyces cerevisiae metabolite. It derives from a valerate. It is a conjugate base of a (S)-3-methyl-2-oxovaleric acid.

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

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

InChI: InChI=1S/C6H10O3/c1-3-4(2)5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)/p-1/t4-/m0/s1

Molecular Properties:
- Polar Surface Area: 57.2 Ų
- LogP: 1.7