(3S)-3-{[(5-Bromo-3-Pyridinyl)Carbonyl]Amino}-4-Oxobutanoic Acid

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Properties Simple | Detailed

Formula C10H9BrN2O4
IUPAC Name (3s)-3-[(5-bromopyridine-3-carbonyl)amino]-4-oxo-butanoic acid
Molecular Mass 301.093 g·mol−1
Heat of Formation -521.2 ± 16.7 kJ·mol−1
Dipole Moment 2.19 ± 1.08 D
Volume 286.81 Å 3
Surface Area 266.16 Å 2
HOMO Energy -10.09 ± 0.55 eV
LUMO Energy -1.21 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-3-[(5-bromopyridin-3-yl)carbonylamino]-4-oxo-butanoic acid
  • (3s)-3-[(5-bromopyridine-3-carbonyl)amino]-4-keto-butyric acid
  • (3s)-3-[(5-bromopyridine-3-carbonyl)amino]-4-oxo-butanoic acid
  • (3s)-3-[(5-bromopyridine-3-carbonyl)amino]-4-oxobutanoic acid
  • (3s)-3-[[(5-bromo-3-pyridyl)-oxomethyl]amino]-4-oxobutanoic acid
  • (3s)-3-{[(5-bromopyridin-3-yl)carbonyl]amino}-4-oxobutanoic acid
  • na3
InChIKey FBMPVEGAIMRCBG-QMMMGPOBSA-N
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Elements H C O Br N