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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 07:16, 18 February 2012 (Saving copy of the {{chembox}} taken from revid 469809974 of page Kainic_acid for the Chem/Drugbox validation project (updated: 'ChEMBL', 'KEGG', 'StdInChI', 'StdInChIKey').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 07:16, 18 February 2012 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 469809974 of page Kainic_acid for the Chem/Drugbox validation project (updated: 'ChEMBL', 'KEGG', 'StdInChI', 'StdInChIKey').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
This page contains a copy of the infobox ({{chembox}}) taken from revid 469809974 of page Kainic_acid with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Stereo, skeletal formula of kainic acid ((2S,3S,4S)-3-methyl,-4-prop-1-en-2-yl,-2-carboxylic acid)
Stereo, skeletal formula of kainic acid ((2S,3S,4S)-3-methyl,-4-prop-1-en-2-yl,-2-carboxylic acid)
Names
IUPAC name (2S,3S,4S)-3-(Carboxymethyl)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid
Other names (3S,4S)-3-(Carboxymethyl)-4-prop-1-en-2-yl-L-proline; 2-Carboxy-3-carboxymethyl-4-isopropenyl-pyrrolidine
Identifiers
CAS Number
3D model (JSmol)
Beilstein Reference 86660
ChEBI
ChEMBL
ChemSpider
MeSH Kainic+acid
PubChem CID
UNII
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/s1Key: VLSMHEGGTFMBBZ-OOZYFLPDSA-N
SMILES
  • CC(=C)1CN(1CC(=O)O)C(=O)O
Properties
Chemical formula C10H15NO4
Molar mass 213.233 g·mol
Melting point 215 °C (419 °F; 488 K)
log P 0.635
Acidity (pKa) 2.031
Basicity (pKb) 11.966
Structure
Crystal structure Monoclinic
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). ☒N verify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound
  1. CID 10255 from PubChem
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