(2S)-Amino(3-Hydroxy-1,2-Oxazol-5-Yl)Ethanoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C5H6N2O4
IUPAC Name (2s)-2-azaniumyl-2-(3-oxoisoxazol-5-yl)acetate
Molecular Mass 158.112 g·mol−1
Heat of Formation -449.1 ± 16.7 kJ·mol−1
Dipole Moment 3.87 ± 1.08 D
Volume 168.31 Å 3
Surface Area 171.63 Å 2
HOMO Energy -10.01 ± 0.55 eV
LUMO Energy 2.29 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-2-(3-ketoisoxazol-5-yl)acetic acid
  • (2s)-2-amino-2-(3-oxo-1,2-oxazol-5-yl)acetic acid
  • (2s)-2-amino-2-(3-oxo-1,2-oxazol-5-yl)ethanoic acid
  • (2s)-2-amino-2-(3-oxo-5-isoxazolyl)acetic acid
  • (2s)-2-amino-2-(3-oxoisoxazol-5-yl)acetic acid
  • tocris-0285
InChIKey IRJCBFDCFXCWGO-BYPYZUCNSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N