General
Preferred name
Isovaleric Acid
Synonyms
isovaleric acid, Delphinic acid, 3-Methylbutyric acid, Isopentanoic acid, ??methylbutyric acid ()
3-METHYLBUTANOIC ACID ()
Isovaleric acid, Delphinic acid, 3-Methylbutyric acid, Isopentanoic acid, ¦Â-methylbutyric acid ()
3-Methylbutanoate ()
P&D ID
PD007270
CAS
503-74-2
92634-50-9
35915-22-1
Tags
drug candidate
natural product
available
Drug Status
experimental
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
3
DrugBank
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
42
Properties
(calculated by RDKit )
Molecular Weight
102.07
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
2
Ring Count
0
Aromatic Ring Count
0
cLogP
1.12
TPSA
37.3
Fraction CSP3
0.8
Chiral centers
0.0
Largest ring
0.0
QED
0.57
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolic Enzyme/Protease
Target
Endogenous Metabolite
Source data
