General
Preferred name
NSC 16590
Synonyms
¦Á,¦Á-Dimethylglycine ()
¦Á-Aminoisobutanoic acid ()
??-Aminoisobutanoic acid ()
??,??-Dimethylglycine ()
2-Aminoisobutyric acid ()
α,α-Dimethylglycine ()
α-Aminoisobutanoic acid ()
alpha-Aminoisobutyric acid ()
NSC-16590, 2-Methylalanine, H-Aib-OH ()
P&D ID
PD007536
CAS
62-57-7
18389-23-6
Tags
available
drug candidate
Drug indication
Discovery agent
Drug Status
experimental
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Compound Sets
5
DrugBank
DB02952
DrugMAP
DM9GXFJ
MedChem Express Bioactive Compound Library
HY-Y0124
Selleckchem Bioactive Compound Library
nsc-16590
TargetMol Bioactive Compound Library
T4831
External IDs
40
Properties
(calculated by RDKit )
Molecular Weight
103.06
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
1
Ring Count
0
Aromatic Ring Count
0
cLogP
-0.19
TPSA
63.32
Fraction CSP3
0.75
Chiral centers
0.0
Largest ring
0.0
QED
0.48
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
Metabolic Enzyme/Protease
Target
Endogenous Metabolite
Fungal
Source data