(2S)-Acetamido{4-[(Ethoxycarbonyl)Amino]Phenyl}Acetic Acid

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Properties Simple | Detailed

Formula C13H16N2O5
IUPAC Name (2s)-2-acetamido-2-[4-(ethoxycarbonylamino)phenyl]acetic acid
Molecular Mass 280.277 g·mol−1
Heat of Formation -876.7 ± 16.7 kJ·mol−1
Dipole Moment 3.11 ± 1.08 D
Volume 324.22 Å 3
Surface Area 308.68 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -0.29 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-acetamido-2-[4-(carbethoxyamino)phenyl]acetic acid
  • (2s)-2-acetamido-2-[4-(ethoxycarbonylamino)phenyl]acetic acid
  • (2s)-2-acetamido-2-[4-(ethoxycarbonylamino)phenyl]ethanoic acid
InChIKey LXZCEJOKBHKJLM-NSHDSACASA-N
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