3-(4-Methyl-3-Oxo-2,3-Dihydro-1,2-Oxazol-5-Yl)-L-Alanine

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Properties Simple | Detailed

Formula C7H10N2O4
IUPAC Name (2s)-2-amino-3-(4-methyl-3-oxo-isoxazol-5-yl)propanoic acid
Molecular Mass 186.165 g·mol−1
Heat of Formation -530.3 ± 16.7 kJ·mol−1
Dipole Moment 3.73 ± 1.08 D
Volume 213.71 Å 3
Surface Area 200.92 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy -0.37 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-(3-keto-4-methyl-isoxazol-5-yl)propionic acid
  • (2s)-2-amino-3-(4-methyl-3-oxo-1,2-oxazol-5-yl)propanoic acid
  • (2s)-2-amino-3-(4-methyl-3-oxo-5-isoxazolyl)propanoic acid
  • (2s)-2-amino-3-(4-methyl-3-oxo-isoxazol-5-yl)propanoic acid
InChIKey QQKCZEULAPHDJP-BYPYZUCNSA-N
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