| Phytochemical Name : Kainic acid |
| PCNDIDK0019 |
| Pubchem CID : 10255 |
| Molecular formula: C10H15NO4 |
| Canonical SMILES : CC(=C)C1CNC(C1CC(=O)O)C(=O)O |
Synonymes : kainic acid|487-79-6|Digenin|Digenic acid|Helminal|Kainate|L-alpha-Kainic acid|alpha-Kainic acid|Digensaeure|Kainsaeure|Acidum kainicum|Acide kainique|Acido kainico|C10H15NO4|3-Pyrrolidineacetic acid, 2-carboxy-4-(1-methylethenyl)-, (2S,3S,4S)-|Kainic acid [INN:JAN]|alpha- Kainic acid|Acide kainique [INN-French]|Acido kainico [INN-Spanish]|Acidum kainicum [INN-Latin]|rac Kainic Acid|(2S,3S,4S)-3-(Carboxymethyl)-4-(prop-1-en-2-yl)pyrrolidine-2-carboxylic acid|NSC 136038|BRN 0086660|UNII-SIV03811UC|CHEMBL275040|SIV03811UC|DTXSID7040526|CHEBI:31746|2-Carboxy-4-isopropenyl-3-pyrrolidineacetic acid|2-Carboxy-3-carboxymethyl-4-isopropenylpyrrolidine|3-Pyrrolidineacetic acid, 2-carboxy-4-isopropenyl-|NSC136038|NSC-759587|NCGC00024504-05|(3S,4R)-3-(carboxymethyl)-4-(prop-1-en-2-yl)-L-proline|(2S-(2alpha,3beta,4beta))-2-carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic acid|3-Pyrrolidineacetic acid, 2-carboxy-4-(1-methylethenyl)-, (2S-(2alpha,3beta,4beta))-|4-22-00-01523 (Beilstein Handbook Reference)|DTXCID5020526|(3S,4S)-3-(carboxymethyl)-4-prop-1-en-2-yl-L-proline|(2S,3S,4S)-Carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic acid|3-(Carboxymethyl)-4-isopropenylproline|3-Pyrrolidineacetic acid, 2-carboxy-4-(1-methylethenyl)-, (2S-(2-alpha,3-beta,4-beta))-|CAS-487-79-6|SR-01000075454|kainic-acid|NSC-136038|KAI|1p1n|Kainic acid (synthetic)|KAINIC ACID [MI]|Biomol-NT_000217|KAINIC ACID [INN]|UPCMLD-DP146|Lopac0_000656|SCHEMBL15777|MLS001074661|KAINIC ACID [WHO-DD]|BPBio1_001306|(-)-(.alpha.)-Kainic Acid|UPCMLD-DP146:001|UPCMLD-DP146:002|HMS2233K05|HMS3262C13|HMS3266C11|HMS3411A21|HMS3675A21|HY-N2309|Tox21_110905|Tox21_500656|BDBM50002369|HB0355|Kainic Acid - CAS 487-79-6|AKOS024456995|Tox21_110905_1|CCG-204742|LP00656|SDCCGSBI-0050635.P002|NCGC00024504-02|NCGC00024504-03|NCGC00024504-04|NCGC00024504-06|NCGC00024504-07|NCGC00024504-08|NCGC00024504-09|NCGC00024504-15|NCGC00261341-01|SMR000471885|LS-137114|CS-0020451|EU-0100656|K 0250|Q390239|SR-01000597728|SR-01000075454-1|SR-01000075454-5|SR-01000075454-6|SR-01000075454-7|SR-01000597728-1|rel-(3R,4R)-3-(carboxymethyl)-4-isopropenyl-D-proline|(2S,3S,4S)-2-Carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic acid|2S-CARBOXY-4S-(1-METHYLETHENYL)-3S-PYRROLDINEACETIC ACID|L-proline, 3-(carboxymethyl)-4-(1-methylethenyl)-, (3S,4S)-|(2S,3S,4S)-3-(Carboxymethyl)-4-Prop-1-En-2-yl-Pyrrolidine-2-Carboxylicacid|(2S-(2.ALPHA.,3.BETA.,4.BETA.))-2-CARBOXY-4-(1-METHYLETHENYL)-3-PYRROLIDINEACETIC ACID|4071-38-9 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 0.740 |
| Log Po/w (XLOGP3) : -1.800 |
| Log Po/w (WLOGP) : -0.050 |
| Log Po/w (MLOGP) : -1.980 |
| Log Po/w (SILICOS-IT) : 0.110 |
| Consensus Log Po/w : -0.600 |