(2S)-2-Amino-4-(2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)Butanoic Acid

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Properties Simple | Detailed

Formula C8H11N3O4
IUPAC Name (2s)-2-amino-4-(2,4-dioxopyrimidin-1-yl)butanoic acid
Molecular Mass 213.191 g·mol−1
Heat of Formation -696.5 ± 16.7 kJ·mol−1
Dipole Moment 4.99 ± 1.08 D
Volume 241.46 Å 3
Surface Area 226.55 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy 2.40 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-4-(2,4-diketopyrimidin-1-yl)butyric acid
  • (2s)-2-amino-4-(2,4-dioxo-1-pyrimidinyl)butanoic acid
  • (2s)-2-amino-4-(2,4-dioxopyrimidin-1-yl)butanoic acid
  • 1(2h)-pyrimidinebutanoic acid, alpha-amino-3,4-dihydro-2,4-dioxo-, (s)-
  • 1-(3'-amino-3'-carboxypropyl)uracil
  • 1-acpu
CAS Number(s)
  • 69557-82-0
InChIKey JRUDOTYRCSMXFT-YFKPBYRVSA-N
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