(1S,5S)-3,3,5-Trimethylcyclohexyl 5-Oxo-L-Prolinate

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Properties Simple | Detailed

Formula C14H23NO3
IUPAC Name [(1s,5s)-3,3,5-trimethylcyclohexyl] (2s)-5-oxopyrrolidine-2-carboxylate
Molecular Mass 253.337 g·mol−1
Heat of Formation -717.4 ± 16.7 kJ·mol−1
Dipole Moment 6.13 ± 1.08 D
Volume 327.94 Å 3
Surface Area 292.94 Å 2
HOMO Energy -9.83 ± 0.55 eV
LUMO Energy 0.75 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-5-ketopyrrolidine-2-carboxylic acid [(1s,5s)-3,3,5-trimethylcyclohexyl] ester
  • (2s)-5-oxo-2-pyrrolidinecarboxylic acid [(1s,5s)-3,3,5-trimethylcyclohexyl] ester
InChIKey FXAAOALUHHXBSO-VWYCJHECSA-N
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