1-benzyl-APDC

Ligand id: 1436

Name: 1-benzyl-APDC

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 103.86
Molecular weight 264.11
XLogP -1.17
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-amino-1-(phenylmethyl)pyrrolidine-2,4-dicarboxylic acid
Database Links
BindingDB Ligand 50071161
CAS Registry No. 171336-76-8 (source: Scifinder)
ChEMBL Ligand CHEMBL60238
PubChem CID 15508178
Search Google for chemical match using the InChIKey LYCSUAGKQMUTBR-ZWNOBZJWSA-N
Search Google for chemicals with the same backbone LYCSUAGKQMUTBR
Search UniChem for chemical match using the InChIKey LYCSUAGKQMUTBR-ZWNOBZJWSA-N
Search UniChem for chemicals with the same backbone LYCSUAGKQMUTBR