Molecular Identity
144-90-1
3-amino-2-methylpropanoic acid
PubChem CID: 64956
3-aminoisobutyric acid is a beta-amino-acid that is isobutyric acid in which one of the methyl hydrogens is substituted by an amino group. It has a role as a metabolite. It is functionally related to an isobutyric acid. It is a conjugate acid of a 3-aminoisobutyrate. It is a tautomer of a 3-aminoisobutanoic acid zwitterion.
2D Structure
Properties
C4H9NO2
Molecular Formula
103.12
Molecular Weight
g/mol
103.0633
Exact Mass
Da
-2.9
XLogP
Drug-like (Lipinski: < 5)
63.3
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
3
H-Bond Acceptors
72
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
144-90-13-Aminoisobutyric acidbeta-Aminoisobutyric acidalpha-Methyl-beta-alanine2-Methyl-beta-alanineBAIBT68ALE2O9FCHEBI:27389DTXSID10861821RefChem:497740DTXCID10810692dl-3-Aminoisobutyric acid3-amino-2-methylpropanoic acid10569-72-9Propanoic acid, 3-amino-2-methyl-
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 144-90-1
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