L-β-BA

Ligand id: 4625

Name: L-β-BA

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 100.62
Molecular weight 223.08
XLogP 0.06
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S,3S)-2-amino-3-(phenylmethyl)butanedioic acid
Synonyms
L-β-threo-benzyl-aspartate
Database Links
ChEMBL Ligand CHEMBL458273
PubChem CID 11622683
Search Google for chemical match using the InChIKey KMVYGTIPJNGNRD-IUCAKERBSA-N
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Search UniChem for chemical match using the InChIKey KMVYGTIPJNGNRD-IUCAKERBSA-N
Search UniChem for chemicals with the same backbone KMVYGTIPJNGNRD