(3R)-3-[({(3R)-2-Oxo-3-[2-(4-Piperidinyl)Ethyl]-1-Piperidinyl}Acetyl)Amino]Butanoic Acid

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Properties Simple | Detailed

Formula C18H31N3O4
IUPAC Name (3r)-3-[[2-[(3r)-2-oxo-3-[2-(4-piperidyl)ethyl]-1-piperidyl]acetyl]amino]butanoic acid
Molecular Mass 353.456 g·mol−1
Heat of Formation -887.7 ± 16.7 kJ·mol−1
Dipole Moment 5.83 ± 1.08 D
Volume 447.73 Å 3
Surface Area 380.86 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy 0.98 ± eV
Point Group Symmetry C1
Synonyms
  • (3r)-3-[2-[(3r)-2-oxo-3-(2-piperidin-4-ylethyl)piperidin-1-yl]ethanoylamino]butanoic acid
  • (3r)-3-[[1-oxo-2-[(3r)-2-oxo-3-[2-(4-piperidinyl)ethyl]-1-piperidinyl]ethyl]amino]butanoic acid
  • (3r)-3-[[2-[(3r)-2-keto-3-[2-(4-piperidyl)ethyl]-1-piperidyl]acetyl]amino]butyric acid
  • (3r)-3-[[2-[(3r)-2-oxo-3-(2-piperidin-4-ylethyl)piperidin-1-yl]acetyl]amino]butanoic acid
  • (3r)-3-[[2-[(3r)-2-oxo-3-[2-(4-piperidyl)ethyl]-1-piperidyl]acetyl]amino]butanoic acid
CAS Number(s)
  • 146144-48-1
InChIKey SFFMYDBKYYBJRY-HIFRSBDPSA-N
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