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

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Properties Simple | Detailed

Formula C7H10N2O4
IUPAC Name (2r)-2-amino-3-(5-methyl-3-oxo-isoxazol-4-yl)propanoic acid
Molecular Mass 186.165 g·mol−1
Heat of Formation -539.1 ± 16.7 kJ·mol−1
Dipole Moment 5.01 ± 1.08 D
Volume 214.74 Å 3
Surface Area 199.24 Å 2
HOMO Energy -9.70 ± 0.55 eV
LUMO Energy 2.66 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-amino-3-(3-keto-5-methyl-isoxazol-4-yl)propionic acid
  • (2r)-2-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acid
  • (2r)-2-amino-3-(5-methyl-3-oxo-4-isoxazolyl)propanoic acid
  • (2r)-2-amino-3-(5-methyl-3-oxo-isoxazol-4-yl)propanoic acid
  • biomol-nt_000215
  • bpbio1_001302
  • tocris-0253
InChIKey UUDAMDVQRQNNHZ-RXMQYKEDSA-N
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