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

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Properties Simple | Detailed

Formula C18H26N2O5
IUPAC Name 4-[2,2-bis(hydroxymethyl)-5-oxo-pyrrolidin-1-yl]-3-(1-ethylpropylamino)benzoic acid
Molecular Mass 350.409 g·mol−1
Heat of Formation -960.0 ± 16.7 kJ·mol−1
Dipole Moment 4.59 ± 1.08 D
Volume 427.16 Å 3
Surface Area 333.35 Å 2
HOMO Energy -8.39 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[4-carboxy-2-(3-pentylamino)phenyl]-5,5'-di(hydroxymethyl)pyrrolidin-2-one
  • 3-(1-ethylpropylamino)-4-(5-keto-2,2-dimethylol-pyrrolidin-1-yl)benzoic acid
  • 4-[2,2-bis(hydroxymethyl)-5-oxo-1-pyrrolidinyl]-3-(1-ethylpropylamino)benzoic acid
  • 4-[2,2-bis(hydroxymethyl)-5-oxo-pyrrolidin-1-yl]-3-(pentan-3-ylamino)benzoic acid
  • 4-[2,2-bis(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-(pentan-3-ylamino)benzoic acid
  • benzoic acid, 4-[2,2-bis(hydroxymethyl)-5-oxo-1-pyrrolidinyl]-3-[(1-ethylpropyl)amino]-
InChIKey BNIJJJRESBVRNB-UHFFFAOYSA-N
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