kainate

Ligand id: 4231

Name: kainate

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 92.29
Molecular weight 211.08
XLogP -1.18
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
IUPAC Name
(2S,3S,4S)-3-(carboxylatomethyl)-4-(prop-1-en-2-yl)pyrrolidine-2-carboxylate
Database Links
CAS Registry No. 487-79-6 (source: Scifinder)
PubChem CID 73755076
Search Google for chemical match using the InChIKey VLSMHEGGTFMBBZ-OOZYFLPDSA-L
Search Google for chemicals with the same backbone VLSMHEGGTFMBBZ
Search UniChem for chemical match using the InChIKey VLSMHEGGTFMBBZ-OOZYFLPDSA-L
Search UniChem for chemicals with the same backbone VLSMHEGGTFMBBZ
SynPHARM 83004 (in complex with GluK2)
11470 (in complex with GluK3)
Wikipedia Kainic_acid
Comments
Please note that the PubChem entry linked to above refers to the acid form of the compound.