(2S)-2-Amino-4-(5-Methyl-3-Oxo-2,3-Dihydro-1,2-Oxazol-4-Yl)Butanoic Acid

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Properties Simple | Detailed

Formula C8H12N2O4
IUPAC Name (2s)-2-amino-4-(5-methyl-3-oxo-isoxazol-4-yl)butanoic acid
Molecular Mass 200.192 g·mol−1
Heat of Formation -544.8 ± 16.7 kJ·mol−1
Dipole Moment 5.40 ± 1.08 D
Volume 234.06 Å 3
Surface Area 219.25 Å 2
HOMO Energy -9.63 ± 0.55 eV
LUMO Energy -0.31 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-4-(3-keto-5-methyl-isoxazol-4-yl)butyric acid
  • (2s)-2-amino-4-(5-methyl-3-oxo-1,2-oxazol-4-yl)butanoic acid
  • (2s)-2-amino-4-(5-methyl-3-oxo-4-isoxazolyl)butanoic acid
  • (2s)-2-amino-4-(5-methyl-3-oxo-isoxazol-4-yl)butanoic acid
  • tocris-1026
InChIKey NZDIZJGEDFARSV-LURJTMIESA-N
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