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

Molecule SVG Image

Properties Simple | Detailed

Formula C7H10N2O4
IUPAC Name (2s)-2-amino-3-(3-hydroxy-5-methyl-isoxazol-4-yl)propanoic acid
Molecular Mass 186.165 g·mol−1
Heat of Formation -522.3 ± 16.7 kJ·mol−1
Dipole Moment 3.08 ± 1.08 D
Volume 212.77 Å 3
Surface Area 203.15 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy -0.33 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-ammonio-3-(3-keto-5-methyl-isoxazol-4-yl)propionate
  • (2s)-2-ammonio-3-(5-methyl-3-oxo-4-isoxazolyl)propanoate
  • (2s)-2-azaniumyl-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoate
  • (2s)-2-azaniumyl-3-(5-methyl-3-oxo-isoxazol-4-yl)propanoate
CAS Number(s)
  • 83643-88-3
InChIKey UUDAMDVQRQNNHZ-YFKPBYRVSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N