3-(5-Tert-Butyl-3-Hydroxy-1,2-Oxazol-4-Yl)-L-Alanine

Molecule SVG Image

Properties Simple | Detailed

Formula C10H16N2O4
IUPAC Name (2s)-2-amino-3-(5-tert-butyl-3-oxo-isoxazol-4-yl)propanoic acid
Molecular Mass 228.245 g·mol−1
Heat of Formation -613.6 ± 16.7 kJ·mol−1
Dipole Moment 4.43 ± 1.08 D
Volume 275.41 Å 3
Surface Area 238.65 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy 2.75 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-ammonio-3-(5-tert-butyl-3-keto-isoxazol-4-yl)propionate
  • (2s)-2-ammonio-3-(5-tert-butyl-3-oxo-4-isoxazolyl)propanoate
  • (2s)-2-azaniumyl-3-(5-tert-butyl-3-oxo-isoxazol-4-yl)propanoate
InChIKey PIXJURSCCVBKRF-LURJTMIESA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N