General
Preferred name
Beta-Hydroxyisovaleric acid
Synonyms
3-Hydroxyisovaleric acid ()
beta-hydroxy-beta-methylbutyrate ()
.BETA.-HYDROXYISOVALERIC ACID ()
Hydroxy-beta-methylbutyrate ()
Juven ()
Butyric acid, 3-hydroxy-3-methyl- ()
?-Hydroxyisovaleric Acid ()
P&D ID
PD065573
CAS
625-08-1
Tags
available
drug candidate
Drug Status
investigational
Max Phase
3.0
Drug indication
hip fracture
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION 3-Hydroxyisovaleric acid is a normal endogenous metabolite excreted in the urine. The urinary excretion of 3-hydroxyisovaleric acid is early and sensitive indicator of biotin deficiency[1][2].
PRICE 29
DESCRIPTION 3-Hydroxyisovaleric acid (Beta-Hydroxyisovaleric acid) is an endogenous metabolite excreted in the urine and can serve as an early and sensitive indicator of biotin deficiency.
Compound Sets
8
AdooQ Bioactive Compound Library
A19114
Cayman Chemical Bioactives
34030
ChEMBL Drugs
CHEMBL4303793
Drug Repurposing Hub
DrugBank
DB15344
MedChem Express Bioactive Compound Library
HY-113409
ReFrame library
Selleckchem Bioactive Compound Library
hydroxyisovaleric-acid
External IDs
30
Properties
(calculated by RDKit )
Molecular Weight
118.06
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
2
Ring Count
0
Aromatic Ring Count
0
cLogP
0.23
TPSA
57.53
Fraction CSP3
0.8
Chiral centers
0.0
Largest ring
0.0
QED
0.55
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
MTOR
Endogenous Metabolite
MOA
protein synthesis stimulant
Pathway
Metabolic Enzyme/Protease
Source data