(2R,4S)-4-(2H-Tetrazol-5-Ylmethyl)-2-Piperidinecarboxylic Acid

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Properties Simple | Detailed

Formula C8H13N5O2
IUPAC Name (2r,4s)-4-(2h-tetrazol-5-ylmethyl)piperidine-2-carboxylic acid
Molecular Mass 211.221 g·mol−1
Heat of Formation -88.5 ± 16.7 kJ·mol−1
Dipole Moment 4.40 ± 1.08 D
Volume 244.05 Å 3
Surface Area 231.46 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,4s)-4-(2h-1,2,3,4-tetrazol-5-ylmethyl)piperidine-2-carboxylic acid
  • (2r,4s)-4-(2h-tetrazol-5-ylmethyl)pipecolinic acid
  • 2-piperidinecarboxylic acid, 4-(1h-tetrazol-5-ylmethyl)-, cis-(+-)-
  • 4-((2h-tetrazol-5-yl)methyl)piperidine-2-carboxylic acid
  • ly 233053
  • ly 235723
CAS Number(s)
  • 125546-04-5
InChIKey FAAVTENFCLADRE-NTSWFWBYSA-N
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