3-(3-Oxo-2,3-Dihydro-1,2-Oxazol-4-Yl)-L-Alanine

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Properties Simple | Detailed

Formula C6H8N2O4
IUPAC Name (2s)-2-amino-3-(3-oxoisoxazol-4-yl)propanoic acid
Molecular Mass 172.139 g·mol−1
Heat of Formation -486.5 ± 16.7 kJ·mol−1
Dipole Moment 4.14 ± 1.08 D
Volume 191.11 Å 3
Surface Area 183.44 Å 2
HOMO Energy -9.85 ± 0.55 eV
LUMO Energy 2.48 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-(3-ketoisoxazol-4-yl)propionic acid
  • (2s)-2-amino-3-(3-oxo-1,2-oxazol-4-yl)propanoic acid
  • (2s)-2-amino-3-(3-oxo-4-isoxazolyl)propanoic acid
  • (2s)-2-amino-3-(3-oxoisoxazol-4-yl)propanoic acid
  • (s)-2-amino-3-(3-hydroxy-isoxazol-4-yl)propionic acid
  • (s)-des-me-ampa
  • shi
InChIKey ZKLGQYGPVBFAQQ-BYPYZUCNSA-N
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