Compound Summary
kainic acid
Compound Information
kainic acid
Compound Name: | kainic acid |
Compound CID: | 10255 |
Synonyms: | kainic acid |
Iupac Name: | (2S,3S,4S)-3-(carboxymethyl)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid |
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)/t6-,7+,9-/m0/s1 |
InChIKey: | VLSMHEGGTFMBBZ-OOZYFLPDSA-N |
Canonical Smiles: | CC(=C)C1CNC(C1CC(=O)O)C(=O)O |
Isomeric Smiles: | CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O |
Molecular Weight: | 213.23 |
Molecular Formula: | C10H15NO4 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
kainic acid
Molecular Weight: | 213.23 |
Molecular Formula: | C10H15NO4 |
Hydrogen Bond Donor Count: | 3 |
Hydrogen Bond Acceptor Count: | 5 |
Rotatable Bond Count: | 4 |
Heavy Atom Count: | 15 |
Complexity: | 300 |
Synonyms
kainic acid
Experimental Data
kainic acid
Experimental Data Visualization
kainic acid
Statistics Data
kainic acid
Statistics Data Visualization
kainic acid
