3-(3-Pyridinyl)Propyl 1-(3,3-Dimethyl-2-Oxopentanoyl)-L-Prolinate

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Properties Simple | Detailed

Formula C20H28N2O4
IUPAC Name 3-(3h-pyridin-1-ium-3-id-5-yl)propyl (2s)-1-(3,3-dimethyl-2-oxo-pentanoyl)pyrrolidine-2-carboxylate
Molecular Mass 360.447 g·mol−1
Heat of Formation -688.0 ± 16.7 kJ·mol−1
Dipole Moment 2.00 ± 1.08 D
Volume 455.65 Å 3
Surface Area 394.83 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy 2.72 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-(2-keto-3,3-dimethyl-pentanoyl)pyrrolidine-2-carboxylic acid 3-(3-pyridyl)propyl ester
  • (2s)-1-(3,3-dimethyl-1,2-dioxopentyl)-2-pyrrolidinecarboxylic acid 3-(3-pyridyl)propyl ester
  • (2s)-[3-pyridyl-1-propyl]-1-[3,3-dimethyl-1,2-dioxopentyl]-2-pyrrolidinecarboxylate
  • 3-(3-pyridyl)propyl (2s)-1-(3,3-dimethyl-2-oxo-pentanoyl)pyrrolidine-2-carboxylate
  • 3-pyridin-3-ylpropyl (2s)-1-(3,3-dimethyl-2-oxo-pentanoyl)pyrrolidine-2-carboxylate
  • 3-pyridin-3-ylpropyl (2s)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate
  • gpi
  • gpi-1046
InChIKey OQAHHWOPVDDWHD-INIZCTEOSA-N
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