MeAIB   

GtoPdb Ligand ID: 4697

Synonyms: α-(methylamino)isobutyric acid | 2-(methylamino)isobutyric acid
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 49.33
Molecular weight 117.08
XLogP -0.16
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CNC(C(=O)O)(C)C
Isomeric SMILES CNC(C(=O)O)(C)C
InChI InChI=1S/C5H11NO2/c1-5(2,6-3)4(7)8/h6H,1-3H3,(H,7,8)
InChI Key DLAMVQGYEVKIRE-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
2-methyl-2-(methylamino)propanoic acid
Synonyms
α-(methylamino)isobutyric acid | 2-(methylamino)isobutyric acid
Database Links
CAS Registry No. 2566-34-9 (source: Scifinder)
ChEMBL Ligand CHEMBL1916079
GtoPdb PubChem SID 178101409
PubChem CID 75725
RCSB PDB Ligand 3WS
Search Google for chemical match using the InChIKey DLAMVQGYEVKIRE-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DLAMVQGYEVKIRE
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Search UniChem for chemicals with the same backbone DLAMVQGYEVKIRE