Molecule ID: 439960

IUPAC Name: (2R)-2-hydroxy-4-methylpentanoic acid

Description: The molecule is the (R)-enantiomer of 2-hydroxy-4-methylpentanoic acid. Found in patients with short-bowel syndrome (an inborn error of metabolism), and in maple syrup urine disease, MSUD. It is a (2R)-2-hydroxy monocarboxylic acid and a 2-hydroxy-4-methylvaleric acid. It is a conjugate acid of a (R)-2-hydroxy-4-methylpentanoate. It is an enantiomer of a (S)-2-hydroxy-4-methylpentanoic acid.

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

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

InChI: InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t5-/m1/s1

Molecular Properties:
- Polar Surface Area: 57.5 Ų
- LogP: 0.9