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

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Properties Simple | Detailed

Formula C14H23NO3
IUPAC Name [(1r,5r)-3,3,5-trimethylcyclohexyl] (2s)-5-oxopyrrolidine-2-carboxylate
Molecular Mass 253.337 g·mol−1
Heat of Formation -713.0 ± 16.7 kJ·mol−1
Dipole Moment 5.27 ± 1.08 D
Volume 329.21 Å 3
Surface Area 293.41 Å 2
HOMO Energy -9.81 ± 0.55 eV
LUMO Energy 3.63 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-5-ketopyrrolidine-2-carboxylic acid [(1r,5r)-3,3,5-trimethylcyclohexyl] ester
  • (2s)-5-oxo-2-pyrrolidinecarboxylic acid [(1r,5r)-3,3,5-trimethylcyclohexyl] ester
  • [(1r,5r)-3,3,5-trimethylcyclohexyl] (2s)-5-oxopyrrolidine-2-carboxylate
  • crilvastatin (usan)
  • d03601
InChIKey FXAAOALUHHXBSO-AXFHLTTASA-N
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