[3H]kainate   

GtoPdb Ligand ID: 4085

   
2D Structure
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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
SMILES / InChI / InChIKey
Canonical SMILES [O-]C(=O)CC1C(CNC1C(=O)[O-])C(=C)C
Isomeric SMILES [O-]C(=O)C[C@H]1[C@H](CN[C@@H]1C(=O)[O-])C(=C)C
InChI InChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/p-2/t6-,7+,9-/m0/s1
InChI Key VLSMHEGGTFMBBZ-OOZYFLPDSA-L
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
GtoPdb PubChem SID 178100908
PubChem CID 73755076
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