Chem
J-GLOBAL ID:200907031604887960   Nikkaji number:J14.436C

α-Allokainic acid

α-アロカイン酸
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C10H15NO4
Molecular formula furigana: C10-H15-N-O4
Molecular weight: 213.233
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
InChI key: VLSMHEGGTFMBBZ-ZKWXMUAHSA-N
SMILES: CC(=C)[C@@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O
Systematic name  (9):
  • (2S,3S,4R)-2α-カルボキシ-4-(1-メチルエテニル)ピロリジン-3-酢酸
  • (2S)-2-カルボキシ-4α-(1-メチルエテニル)-3β-ピロリジン酢酸
  • (2S)-2α-カルボキシ-4α-(1-メチルエテニル)-3β-ピロリジン酢酸
  • (2S)-2α-カルボキシ-4α-イソプロペニル-3β-ピロリジン酢酸
  • (2S,3S,4R)-2-カルボキシ-4-イソプロペニル-3-ピロリジン酢酸
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Other name (15):
  • α-アロカイン酸
  • α-Allokainic acid
  • (2S)-2-Carboxy-4α-(1-methylethenyl)-3β-pyrrolidineacetic acid
  • L-α-アロカイニン酸
  • L-α-Allokainic acid
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CAS registry number: 4071-39-0
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