(1R,2R,3S,5S)-3-[(3-Hydroxybenzoyl)Oxy]-8-Methyl-8-Azabicyclo[3.2.1]Octane-2-Carboxylic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C16H19NO5
IUPAC Name (1s,3s,4r,5r,8s)-3-(3-hydroxybenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid
Molecular Mass 305.326 g·mol−1
Heat of Formation -822.8 ± 16.7 kJ·mol−1
Dipole Moment 3.29 ± 1.08 D
Volume 354.64 Å 3
Surface Area 305.1 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2r,3s,5s)-3-(3-hydroxybenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
  • (1r,2r,3s,5s)-3-(3-hydroxyphenyl)carbonyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
  • (1r,2r,3s,5s)-3-[(3-hydroxyphenyl)-oxomethoxy]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
InChIKey XCJJCRPRQYXLRE-AHLTXXRQSA-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