Details of the Drug

General Information of Drug (ID: DM9GXFJ)

Drug Name
Alpha-Aminoisobutyric Acid
Synonyms
2-Aminoisobutyric acid; 62-57-7; 2-Methylalanine; 2-Amino-2-methylpropanoic acid; H-Aib-OH; Alanine, 2-methyl-; ALPHA-AMINOISOBUTYRIC ACID; 2-Amino-2-methylpropionic acid; alpha-Methylalanine; alpha-Aminoisobutanoic acid; a-Aminoisobutyric acid; 2-amino isobutyric acid; NSC 16590; alpha,alpha-Dimethylglycine; AIB; Propionic acid, 2-amino-2-methyl-; 2-amino-isobutyric acid; 2-amino-2-methyl-propanoic acid; UNII-1E7ZW41IQU; a-Aminoisobutyrate; 2-Amino-2-methylpropanoate; .alpha.-Aminoisobutanoic acid; 2,2-dimethylglycine
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 103.12
Logarithm of the Partition Coefficient (xlogp) -2.8
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C4H9NO2
IUPAC Name
2-amino-2-methylpropanoic acid
Canonical SMILES
CC(C)(C(=O)O)N
InChI
InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)
InChIKey
FUOOLUPWFVMBKG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
6119
ChEBI ID
CHEBI:27971
CAS Number
62-57-7
UNII
1E7ZW41IQU
DrugBank ID
DB02952
TTD ID
D08JUG

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Corticoliberin (CRH) TTA7YIZ CRF_HUMAN Inhibitor [1]
Neuropeptide Y (NPY) TT64REZ NPY_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.