β-Cyano-L-alanine

Ligand id: 8859

Name: β-Cyano-L-alanine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 87.11
Molecular weight 114.04
XLogP -3.6
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-2-amino-3-cyanopropanoic acid
Synonyms
3-Cyano-L-alanine | L-beta-Cyanoalanine
Database Links
CAS Registry No. 6232-19-5
GtoPdb PubChem SID 252827516
PubChem CID 439742
Search Google for chemical match using the InChIKey BXRLWGXPSRYJDZ-VKHMYHEASA-N
Search Google for chemicals with the same backbone BXRLWGXPSRYJDZ
Search UniChem for chemical match using the InChIKey BXRLWGXPSRYJDZ-VKHMYHEASA-N
Search UniChem for chemicals with the same backbone BXRLWGXPSRYJDZ
Comments
Inhibitor of cystathionine γ-lyase (CSE).