(3S,4S)-3-(Carboxycarbonyl)-4-Isopropenyl-L-Proline

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Properties Simple | Detailed

Formula C10H13NO5
IUPAC Name (2s,3s,4s)-4-isopropenyl-3-oxalo-pyrrolidine-2-carboxylic acid
Molecular Mass 227.214 g·mol−1
Heat of Formation -813.3 ± 16.7 kJ·mol−1
Dipole Moment 2.69 ± 1.08 D
Volume 265.34 Å 3
Surface Area 232.44 Å 2
HOMO Energy -9.83 ± 0.55 eV
LUMO Energy 2.57 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s)-3-(carboxycarbonyl)-4-prop-1-en-2-yl-pyrrolidine-2-carboxylic acid
  • (2s,3s,4s)-3-oxalo-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid
  • (2s,3s,4s)-4-isopropenyl-3-oxalo-2-pyrrolidinecarboxylic acid
  • (2s,3s,4s)-4-isopropenyl-3-oxalo-proline
  • (2s,3s,4s)-4-isopropenyl-3-oxalo-pyrrolidine-2-carboxylic acid
  • 3-pyrrolidineacetic acid, 2-carboxy-4-(1-methylethenyl)-alpha-oxo-, (2s-(2alpha,3beta,4beta))-
  • alpha-ketokainic acid
CAS Number(s)
  • 75232-58-5
InChIKey QSNBRSMXOOFGGD-VQVTYTSYSA-N
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