4-{[(2S)-3,3-Dimethyl-1-{[(1R)-1-(4-Methylphenyl)Butyl]Carbamoyl}-4-Oxo-2-Azetidinyl]Oxy}Benzoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C24H28N2O5
IUPAC Name 4-[(2s)-3,3-dimethyl-4-oxo-1-[[(1r)-1-(p-tolyl)butyl]carbamoyl]azetidin-2-yl]oxybenzoic acid
Molecular Mass 424.490 g·mol−1
Heat of Formation -776.6 ± 16.7 kJ·mol−1
Dipole Moment 3.27 ± 1.08 D
Volume 524.16 Å 3
Surface Area 453.71 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
Synonyms
  • 4-((1-(((1-(5-toluoyl)butyl)amino)carbonyl)-3,3-dimethyl-4-oxo-2-azetidinyl)oxy)benzoic acid
  • 4-[(2s)-3,3-dimethyl-1-[[(1r)-1-(4-methylphenyl)butyl]carbamoyl]-4-oxo-azetidin-2-yl]oxybenzoic acid
  • 4-[(2s)-3,3-dimethyl-1-[[(1r)-1-(4-methylphenyl)butyl]carbamoyl]-4-oxoazetidin-2-yl]oxybenzoic acid
  • 4-[(2s)-4-keto-3,3-dimethyl-1-[[(1r)-1-(4-methylphenyl)butyl]carbamoyl]azetidin-2-yl]oxybenzoic acid
  • 4-[[(2s)-3,3-dimethyl-1-[[[(1r)-1-(4-methylphenyl)butyl]amino]-oxomethyl]-4-oxo-2-azetidinyl]oxy]benzoic acid
  • l 684248
  • l-684248
CAS Number(s)
  • 156728-18-6
InChIKey UYCGRJINXTYRQR-KNQAVFIVSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N