N-{[(Ethoxycarbonyl)Amino]Methyl}-L-Isoleucine

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Properties Simple | Detailed

Formula C10H20N2O4
IUPAC Name (2s,3s)-2-[(ethoxycarbonylamino)methylamino]-3-methyl-pentanoic acid
Molecular Mass 232.277 g·mol−1
Heat of Formation -863.3 ± 16.7 kJ·mol−1
Dipole Moment 3.57 ± 1.08 D
Volume 295.0 Å 3
Surface Area 277.98 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy 3.68 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s)-2-[(carbethoxyamino)methylamino]-3-methyl-valeric acid
  • (2s,3s)-2-[(ethoxycarbonylamino)methylamino]-3-methyl-pentanoic acid
  • (2s,3s)-2-[(ethoxycarbonylamino)methylamino]-3-methylpentanoic acid
  • a-145
  • n-(((ethoxycarbonyl)amino)methyl)-l-isoleucine
  • n-ethylcarbaminomethyl-l-isoleucine
CAS Number(s)
  • 54805-04-8
InChIKey SCNSGPWOIGVSNJ-YUMQZZPRSA-N
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