Methyl N-(2,6-Dimethylphenyl)-N-2-Furoyl-D-Alaninate

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Properties Simple | Detailed

Formula C17H19NO4
IUPAC Name methyl (2r)-2-[n-(furan-2-carbonyl)-2,6-dimethyl-anilino]propanoate
Molecular Mass 301.337 g·mol−1
Heat of Formation -516.6 ± 16.7 kJ·mol−1
Dipole Moment 3.20 ± 1.08 D
Volume 364.92 Å 3
Surface Area 298.71 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy 2.80 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[(2,6-dimethylphenyl)-(2-furyl-oxomethyl)amino]propanoic acid methyl ester
  • (2r)-2-[(2,6-dimethylphenyl)-(furan-2-carbonyl)amino]propionic acid methyl ester
  • methyl (2r)-2-[(2,6-dimethylphenyl)-furan-2-ylcarbonyl-amino]propanoate
InChIKey CIEXPHRYOLIQQD-CYBMUJFWSA-N
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