(2S,4R)-4-(1H-Tetrazol-5-Ylmethyl)Piperidine-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C8H13N5O2
IUPAC Name (2s,4r)-4-(2h-tetrazol-5-ylmethyl)piperidine-2-carboxylic acid
Molecular Mass 211.221 g·mol−1
Heat of Formation -113.0 ± 16.7 kJ·mol−1
Dipole Moment 4.17 ± 1.08 D
Volume 246.47 Å 3
Surface Area 232.22 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,4r)-4-(2h-1,2,3,4-tetrazol-5-ylmethyl)piperidine-2-carboxylic acid
  • (2s,4r)-4-(2h-tetrazol-5-ylmethyl)-2-piperidinecarboxylic acid
  • (2s,4r)-4-(2h-tetrazol-5-ylmethyl)pipecolinic acid
InChIKey FAAVTENFCLADRE-RITPCOANSA-N
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