beta-Kainic acid
Basic information
- CAS
59905-23-6- Standard SMILES
C=C(C)[C@H]1CN[C@@H](C(=O)O)[C@H]1CC(=O)O- InChIKey
VLSMHEGGTFMBBZ-LKEWCRSYSA-N- Molecular formula
- C10H15NO4
- Average molar mass
- 213.23 g/mol
- Monoisotopic mass
- 213.10010796
Names & identifiers
- Preferred name
- beta-Kainic acid
- IUPAC
- (2R,3S,4S)-3-(carboxymethyl)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid
Names & synonyms
59905-23-6SN2S8649JJ(2R,3S,4S)-2-Carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic acidbeta-Kainic acid3-Pyrrolidineacetic acid, 2-carboxy-4-(1-methylethenyl)-, (2R,3S,4S)-NSC 136038NSC-136038.BETA.-KAINIC ACIDUNII-SN2S8649JJrel-(2R,3S,4S)-2-Carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic acid3-Pyrrolidineacetic acid, 2-carboxy-4-(1-methylethenyl)-, stereoisomerDB-246878
Show more names
3-Pyrrolidineaceticacid, 2-carboxy-4-(1-methylethenyl)-, (2S,3S,4S)-rel-(2R,3S,4S)-2-Carboxy-4-(1-methylethenyl)-3-pyrrolidineaceticacid3-PYRROLIDINEACETIC ACID, 2-CARBOXY-4-(1-METHYLETHENYL)-, (2R-(2.ALPHA.,3.ALPHA.,4.ALPHA.))-
Database identifiers
- CAS
59905-23-6- PubChem CID
- 73345
- UNII
- SN2S8649JJ
- Nikkaji
- J757.766D
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 300
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Related reactions
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Compound notes
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