Molecule ID: 5462303

IUPAC Name: (2S)-2-methyl-3-oxopropanoic acid

Description: The molecule is 2-Methyl-3-oxopropanoic acid with configuration S at the chiral centre. It has a role as a mouse metabolite. It is a 2-methyl-3-oxopropanoic acid and an aldehydic acid. It derives from a propionic acid. It is a conjugate acid of a (S)-methylmalonate semialdehyde.

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

SELFIES: [C][C@@H1][Branch1][Ring1][C][=O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C4H6O3/c1-3(2-5)4(6)7/h2-3H,1H3,(H,6,7)/t3-/m0/s1

Molecular Properties:
- Polar Surface Area: 54.4 Ų
- LogP: 0.0