4-({4-[(1R,2S,4S)-2-Hydroxy-4-Phenylcyclohexyl]Benzoyl}Amino)Butanoic Acid

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Properties Simple | Detailed

Formula C23H27NO4
IUPAC Name 4-[[4-[(1r,2s,4s)-2-hydroxy-4-phenyl-cyclohexyl]benzoyl]amino]butanoic acid
Molecular Mass 381.465 g·mol−1
Heat of Formation -679.9 ± 16.7 kJ·mol−1
Dipole Moment 3.88 ± 1.08 D
Volume 473.72 Å 3
Surface Area 419.22 Å 2
HOMO Energy -9.65 ± 0.55 eV
LUMO Energy 2.82 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2s,5s)2-(4-glutaridylbenzyl)-5-phenyl-1-cyclohexanol
  • 4-[[4-[(1r,2s,4s)-2-hydroxy-4-phenyl-cyclohexyl]benzoyl]amino]butanoic acid
  • 4-[[4-[(1r,2s,4s)-2-hydroxy-4-phenyl-cyclohexyl]benzoyl]amino]butyric acid
  • 4-[[4-[(1r,2s,4s)-2-hydroxy-4-phenyl-cyclohexyl]phenyl]carbonylamino]butanoic acid
  • 4-[[4-[(1r,2s,4s)-2-hydroxy-4-phenylcyclohexyl]benzoyl]amino]butanoic acid
  • 4-[[[4-[(1r,2s,4s)-2-hydroxy-4-phenylcyclohexyl]phenyl]-oxomethyl]amino]butanoic acid
  • hop
  • oxy-cope-hapten
InChIKey OBWILOKKNDYPLX-HBMCJLEFSA-N
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