4-(5-{[(2S)-1-Carboxy-3-Oxo-2-Propanyl]Carbamoyl}-3-Pyridinyl)Benzoic Acid

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Properties Simple | Detailed

Formula C17H14N2O6
IUPAC Name 4-[5-[[(1s)-1-(carboxymethyl)-2-oxo-ethyl]carbamoyl]-3-pyridyl]benzoic acid
Molecular Mass 342.303 g·mol−1
Heat of Formation -822.0 ± 16.7 kJ·mol−1
Dipole Moment 3.20 ± 1.08 D
Volume 387.0 Å 3
Surface Area 348.85 Å 2
HOMO Energy -10.10 ± 0.55 eV
LUMO Energy 1.71 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[5-(2-carboxy-1-formyl-ethylcarbamoyl)-pyridin-3-yl]-benzoic acid
  • 4-[5-[[(1s)-1-formyl-3-hydroxy-3-keto-propyl]carbamoyl]-3-pyridyl]benzoic acid
  • 4-[5-[[(1s)-1-formyl-3-hydroxy-3-oxo-propyl]carbamoyl]-3-pyridyl]benzoic acid
  • 4-[5-[[(2s)-4-hydroxy-1,4-dioxo-butan-2-yl]carbamoyl]pyridin-3-yl]benzoic acid
  • 4-[5-[[(2s)-4-hydroxy-1,4-dioxobutan-2-yl]carbamoyl]pyridin-3-yl]benzoic acid
  • 4-[5-[[[(1s)-1-formyl-3-hydroxy-3-oxopropyl]amino]-oxomethyl]-3-pyridyl]benzoic acid
  • na4
InChIKey JNRAPROKLOUIRA-AWEZNQCLSA-N
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