(2S)-1-(3-Methyl-L-Valyl)-2-Pyrrolidinecarbonitrile

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Properties Simple | Detailed

Formula C11H19N3O
IUPAC Name (2s)-1-[(2s)-2-amino-3,3-dimethyl-butanoyl]pyrrolidine-2-carbonitrile
Molecular Mass 209.288 g·mol−1
Heat of Formation -151.6 ± 16.7 kJ·mol−1
Dipole Moment 5.24 ± 1.08 D
Volume 280.07 Å 3
Surface Area 242.06 Å 2
HOMO Energy -9.52 ± 0.55 eV
LUMO Energy 0.69 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-[(2s)-2-amino-3,3-dimethyl-1-oxobutyl]-2-pyrrolidinecarbonitrile
  • (2s)-1-[(2s)-2-amino-3,3-dimethyl-butanoyl]pyrrolidine-2-carbonitrile
  • (2s)-1-[(2s)-2-amino-3,3-dimethylbutanoyl]pyrrolidine-2-carbonitrile
InChIKey XGNBIYXILDDDQR-DTWKUNHWSA-N
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