3-[(3As,4R,6Ar)-2-Oxooctahydropyrrolo[3,4-D]Imidazol-4-Yl]Propanoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C8H13N3O3
IUPAC Name 3-[(3as,4r,6ar)-2-oxo-3,3a,4,5,6,6a-hexahydro-1h-pyrrolo[3,4-d]imidazol-4-yl]propanoic acid
Molecular Mass 199.207 g·mol−1
Heat of Formation -548.4 ± 16.7 kJ·mol−1
Dipole Moment 4.12 ± 1.08 D
Volume 231.2 Å 3
Surface Area 218.06 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy 0.67 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(3ar,6r,6as)-2-keto-3,3a,4,5,6,6a-hexahydro-1h-pyrrolo[3,4-d]imidazol-6-yl]propionic acid
  • 3-[(3ar,6r,6as)-2-oxo-3,3a,4,5,6,6a-hexahydro-1h-pyrrolo[3,4-d]imidazol-6-yl]propanoic acid
  • 4-epsilon-(2-carboxyethyl)-cis-hexahydropyrrolo(3,4-d)imidazol-2-one
  • bisnorazabiotin
  • pyrrolo(3,4-d)imidazole-4-propanoic acid, octahydro-2-oxo-
CAS Number(s)
  • 57756-97-5
InChIKey XPUUAURJDMASAV-XAHCXIQSSA-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