(2S,3S,4R)-4-(1,3-Benzodioxol-5-Yl)-1-[2-(Dibutylamino)-2-Oxoethyl]-2-(4-Methoxyphenyl)-3-Pyrrolidinecarboxylic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C29H38N2O6
IUPAC Name (2s,3s,4r)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxo-ethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
Molecular Mass 510.622 g·mol−1
Heat of Formation -946.4 ± 16.7 kJ·mol−1
Dipole Moment 4.43 ± 1.08 D
Volume 633.28 Å 3
Surface Area 502.1 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy 2.84 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4r)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-keto-ethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
  • (2s,3s,4r)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxo-ethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
  • (2s,3s,4r)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
InChIKey MOTJMGVDPWRKOC-MXSCXNJPSA-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