Molecular Identity
3-Hydroxyisovaleric acid
3-hydroxy-3-methylbutanoic acid
PubChem CID: 69362
3-hydroxyisovaleric acid is a 3-hydroxy monocarboxylic acid that is isovaleric acid substituted at position 3 by a hydroxy group. Used as indicator of biotin deficiency. It has a role as a human metabolite. It is functionally related to an isovaleric acid and a butyric acid. It is a conjugate acid of a 3-hydroxyisovalerate.
2D Structure
Properties
C5H10O3
Molecular Formula
118.13
Molecular Weight
g/mol
118.0630
Exact Mass
Da
-0.3
XLogP
Drug-like (Lipinski: < 5)
57.5
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
3
H-Bond Acceptors
95
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)(CC(=O)O)OIsomeric SMILES
SMILES: CC(C)(CC(=O)O)OSynonyms(20)
beta-Hydroxyisovaleric acid625-08-13-Hydroxy-3-methylbutanoic acid3-Hydroxyisovaleric acid3-Hydroxy-3-methylbutyric acid3-OH-isovaleric acid3-hydroxy-3-methyl-butanoic acid3-hydroxy-isovaleric acidHmb-d6beta-Hydroxy-methylbutyratebeta-hydroxy-beta-methylbutyric acidDTXSID202115353F752311CDCHEBI:37084RefChem:911412
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to 3-Hydroxyisovaleric acid
Loading drug network...