(2S)-1-{N-[(1R,3S,5R,7S)-3-Hydroxyadamantan-1-Yl]Glycyl}-2-Pyrrolidinecarbonitrile

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Properties Simple | Detailed

Formula C17H25N3O2
IUPAC Name (2s)-1-[2-[[(5s,7r)-3-hydroxy-1-adamantyl]amino]acetyl]pyrrolidine-2-carbonitrile
Molecular Mass 303.399 g·mol−1
Heat of Formation -344.2 ± 16.7 kJ·mol−1
Dipole Moment 4.83 ± 1.08 D
Volume 378.47 Å 3
Surface Area 318.86 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy 0.67 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-[2-[[(5s,7r)-3-hydroxy-1-adamantyl]amino]-1-oxoethyl]-2-pyrrolidinecarbonitrile
  • (2s)-1-[2-[[(5s,7r)-3-hydroxy-1-adamantyl]amino]acetyl]pyrrolidine-2-carbonitrile
  • (2s)-1-[2-[[(5s,7r)-3-hydroxy-1-adamantyl]amino]ethanoyl]pyrrolidine-2-carbonitrile
InChIKey SYOKIDBDQMKNDQ-NHMCJKAESA-N
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