4-Methyl-2-Oxo-2H-Chromen-7-Yl N-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-L-Alaninate

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Properties Simple | Detailed

Formula C18H21NO6
IUPAC Name (4-methyl-2-oxo-chromen-7-yl) (2s)-2-(tert-butoxycarbonylamino)propanoate
Molecular Mass 347.362 g·mol−1
Heat of Formation -1016.2 ± 16.7 kJ·mol−1
Dipole Moment 7.54 ± 1.08 D
Volume 413.33 Å 3
Surface Area 365.8 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-(tert-butoxycarbonylamino)propionic acid (2-keto-4-methyl-chromen-7-yl) ester
  • (2s)-2-[(tert-butoxy-oxomethyl)amino]propanoic acid (4-methyl-2-oxo-7-chromenyl) ester
  • (4-methyl-2-oxo-chromen-7-yl) (2s)-2-(tert-butoxycarbonylamino)propanoate
  • (4-methyl-2-oxo-chromen-7-yl) (2s)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
  • (4-methyl-2-oxochromen-7-yl) (2s)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
  • boc-ala-omc
  • tert-butyloxycarbonyl-1-alanine 4-methylumbelliferyl ester
CAS Number(s)
  • 138474-38-1
InChIKey AQPFJTVMYYRFAH-NSHDSACASA-N
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