Methyl L-Isoleucinate

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Properties Simple | Detailed

Formula C7H15NO2
IUPAC Name methyl (2s,3s)-2-amino-3-methyl-pentanoate
Molecular Mass 145.199 g·mol−1
Heat of Formation -453.8 ± 16.7 kJ·mol−1
Dipole Moment 1.87 ± 1.08 D
Volume 199.73 Å 3
Surface Area 190.78 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy 0.61 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s)-2-amino-3-methyl-pentanoic acid methyl ester
  • (2s,3s)-2-amino-3-methyl-valeric acid methyl ester
  • (2s,3s)-2-amino-3-methylpentanoic acid methyl ester
  • bas 16578643
  • isoleucine methyl ester
  • methyl (2s,3s)-2-amino-3-methyl-pentanoate
  • methyl (2s,3s)-2-amino-3-methylpentanoate
CAS Number(s)
  • 18598-74-8
InChIKey YXMMTUJDQTVJEN-WDSKDSINSA-N
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