(2S,4R,6S)-4-Methyl-6-(2-Oxobutyl)-2-Piperidinecarboxylic Acid

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Properties Simple | Detailed

Formula C11H19NO3
IUPAC Name (2s,4r,6s)-4-methyl-6-(2-oxobutyl)piperidine-2-carboxylic acid
Molecular Mass 213.274 g·mol−1
Heat of Formation -654.4 ± 16.7 kJ·mol−1
Dipole Moment 4.50 ± 1.08 D
Volume 275.68 Å 3
Surface Area 245.47 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy 0.71 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,4r,6s)-4-methyl-6-(2-oxobutyl)piperidine-2-carboxylic acid
  • (2s,4r,6s)-6-(2-ketobutyl)-4-methyl-pipecolinic acid
  • 2-piperidinecarboxylic acid, 4-methyl-6-(2-oxobutyl)-, (2s-(2alpha,4alpha,6beta))-
  • 4-methyl-6-(2-oxobutyl)-2-piperidinecarboxylic acid
  • 4-mopc
CAS Number(s)
  • 74235-25-9
InChIKey TTYVMAIXDAWXKQ-WEDXCCLWSA-N
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