Molecule ID: 3527278

IUPAC Name: 4-methyl-2-oxopentanoate

Description: The molecule is a 2-oxo monocarboxylic acid anion that is the conjugate base of 4-methyl-2-oxopentanoic acid. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It derives from a valerate. It is a conjugate base of a 4-methyl-2-oxopentanoic acid.

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

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

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

Molecular Properties:
- Polar Surface Area: 57.2 Ų
- LogP: 1.6