Molecule ID: 6419705

IUPAC Name: (3S)-2-oxo-3-propan-2-ylbutanedioate

Description: The molecule is a dicarboxylic acid dianion obtained by removal of a proton from both carboxy groups of (2S)-2-isopropyl-3-oxosuccinic acid. It has a role as a Saccharomyces cerevisiae metabolite. It derives from a succinate(2-). It is a conjugate base of a (2S)-2-isopropyl-3-oxosuccinic acid.

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

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

InChI: InChI=1S/C7H10O5/c1-3(2)4(6(9)10)5(8)7(11)12/h3-4H,1-2H3,(H,9,10)(H,11,12)/p-2/t4-/m0/s1

Molecular Properties:
- Polar Surface Area: 97.3 Ų
- LogP: 2.0