(2R,6R)-6-Methyl-1-(3-Sulfanylpropanoyl)-2-Piperidinecarboxylic Acid

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Properties Simple | Detailed

Formula C10H17NO3S
IUPAC Name (2r,6r)-6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid
Molecular Mass 231.312 g·mol−1
Heat of Formation -600.6 ± 16.7 kJ·mol−1
Dipole Moment 3.73 ± 1.08 D
Volume 278.19 Å 3
Surface Area 247.57 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -0.25 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,6r)-1-(3-mercapto-1-oxopropyl)-6-methyl-2-piperidinecarboxylic acid
  • (2r,6r)-1-(3-mercaptopropanoyl)-6-methyl-pipecolinic acid
  • (2r,6r)-6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid
InChIKey UHIOKYGCFGNNCU-HTQZYQBOSA-N
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