4-[2,2-Bis(Hydroxymethyl)-5-Oxopyrrolidin-1-Yl]-3-Carbamimidamidobenzoic Acid

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Properties Simple | Detailed

Formula C14H18N4O5
IUPAC Name 4-[2,2-bis(hydroxymethyl)-5-oxo-pyrrolidin-1-yl]-3-guanidino-benzoic acid
Molecular Mass 322.317 g·mol−1
Heat of Formation -767.2 ± 16.7 kJ·mol−1
Dipole Moment 4.53 ± 1.08 D
Volume 364.75 Å 3
Surface Area 300.23 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy 1.86 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(4-carboxy-2-guanidinopentyl)-5,5'-di(hydroxymethyl)pyrrolidin-2-one
  • 3-guanidino-4-(5-keto-2,2-dimethylol-pyrrolidin-1-yl)benzoic acid
  • 4-(2,2-bis-hydroxymethyl-5-oxo-pyrrolidin-1-yl)-3-guanidino-benzoic acid
  • 4-[2,2-bis(hydroxymethyl)-5-oxo-1-pyrrolidinyl]-3-guanidinobenzoic acid
  • 4-[2,2-bis(hydroxymethyl)-5-oxo-pyrrolidin-1-yl]-3-(diaminomethylideneamino)benzoic acid
  • 4-[2,2-bis(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-(diaminomethylideneamino)benzoic acid
  • benzoic acid, 3-[(aminoiminomethyl)amino]-4-[2,2-bis(hydroxymethyl)-5-oxo-1-pyrrolidinyl]-
  • rai
InChIKey IRNYFKBSAARAHR-UHFFFAOYSA-N
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