4-{[(5-Fluoro-2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)Carbonyl]Amino}Butanoic Acid

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Formula C9H10FN3O5++
IUPAC Name 4-[(5-fluoro-2,4-dioxo-pyrimidine-1-carbonyl)amino]butanoic acid
Molecular Mass 259.191 g·mol−1
Heat of Formation -1076.5 ± 16.7 kJ·mol−1
Dipole Moment 3.69 ± 1.08 D
Volume 273.92 Å 3
Surface Area 260.6 Å 2
HOMO Energy -10.32 ± 0.55 eV
LUMO Energy -1.13 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(3-carboxypropylcarbamoyl)-5-fluorouracil
  • 4-[(5-fluoro-2,4-diketo-pyrimidine-1-carbonyl)amino]butyric acid
  • 4-[(5-fluoro-2,4-dioxo-pyrimidin-1-yl)carbonylamino]butanoic acid
  • 4-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]butanoic acid
  • 4-[[(5-fluoro-2,4-dioxo-1-pyrimidinyl)-oxomethyl]amino]butanoic acid
  • butanoic acid, 4-(((5-fluoro-3,4-dihydro-2,4-dioxo-1(2h)-pyrimidinyl)carbonyl)amino)-
  • cprfu
CAS Number(s)
  • 69519-16-0
InChIKey SRZFBVWHAXOYNE-UHFFFAOYSA-N
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