4-[(2R)-2-(Aminomethyl)-2-(Hydroxymethyl)-5-Oxo-1-Pyrrolidinyl]-3-(3-Pentanylamino)Benzoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C18H27N3O4
IUPAC Name 4-[(2r)-2-(aminomethyl)-2-(hydroxymethyl)-5-oxo-pyrrolidin-1-yl]-3-(1-ethylpropylamino)benzoic acid
Molecular Mass 349.425 g·mol−1
Heat of Formation -746.2 ± 16.7 kJ·mol−1
Dipole Moment 8.04 ± 1.08 D
Volume 435.06 Å 3
Surface Area 350.12 Å 2
HOMO Energy -8.35 ± 0.55 eV
LUMO Energy 2.51 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(4-carboxy-2-(3-pentylamino)phenyl)-5-aminomethyl-5-hydroxymethyl-pyrrolidin-2-one
  • 4-[(2r)-2-(aminomethyl)-2-(hydroxymethyl)-5-oxo-1-pyrrolidinyl]-3-(1-ethylpropylamino)benzoic acid
  • 4-[(2r)-2-(aminomethyl)-2-(hydroxymethyl)-5-oxo-pyrrolidin-1-yl]-3-(1-ethylpropylamino)benzoic acid
  • 4-[(2r)-2-(aminomethyl)-2-(hydroxymethyl)-5-oxo-pyrrolidin-1-yl]-3-(pentan-3-ylamino)benzoic acid
  • 4-[(2r)-2-(aminomethyl)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-(pentan-3-ylamino)benzoic acid
  • 4-[(2r)-2-(aminomethyl)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-[(1-ethylpropyl)amino]benzoic acid
  • 4-[(2r)-2-(aminomethyl)-5-keto-2-methylol-pyrrolidin-1-yl]-3-(1-ethylpropylamino)benzoic acid
InChIKey ZEZFFRWWHKSMEB-GOSISDBHSA-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