3-[3-(Carboxymethoxy)-5-Methyl-1,2-Oxazol-4-Yl]-L-Alanine

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Properties Simple | Detailed

Formula C9H12N2O6
IUPAC Name (2s)-2-amino-3-[3-(carboxymethoxy)-5-methyl-isoxazol-4-yl]propanoic acid
Molecular Mass 244.201 g·mol−1
Heat of Formation -862.3 ± 16.7 kJ·mol−1
Dipole Moment 2.51 ± 1.08 D
Volume 267.72 Å 3
Surface Area 238.36 Å 2
HOMO Energy -9.87 ± 0.55 eV
LUMO Energy -0.25 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-[3-(carboxymethyloxy)-5-methyl-1,2-oxazol-4-yl]propanoic acid
  • (2s)-2-amino-3-[3-(carboxymethyloxy)-5-methyl-4-isoxazolyl]propanoic acid
  • (2s)-2-amino-3-[3-(carboxymethyloxy)-5-methyl-isoxazol-4-yl]propanoic acid
  • (2s)-2-amino-3-[3-(carboxymethyloxy)-5-methyl-isoxazol-4-yl]propionic acid
InChIKey OKLRJJIBPYTEDZ-LURJTMIESA-N
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