Methyl (3S)-5-Fluoro-3-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)-4-Oxopentanoate

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Properties Simple | Detailed

Formula C11H18FNO5
IUPAC Name methyl (3s)-3-(tert-butoxycarbonylamino)-5-fluoro-4-oxo-pentanoate
Molecular Mass 263.263 g·mol−1
Heat of Formation -1181.8 ± 16.7 kJ·mol−1
Dipole Moment 3.24 ± 1.08 D
Volume 315.65 Å 3
Surface Area 294.38 Å 2
HOMO Energy -9.89 ± 0.55 eV
LUMO Energy 3.07 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-3-(tert-butoxycarbonylamino)-5-fluoro-4-keto-valeric acid methyl ester
  • (3s)-3-[(tert-butoxy-oxomethyl)amino]-5-fluoro-4-oxopentanoic acid methyl ester
  • methyl (3s)-3-(tert-butoxycarbonylamino)-5-fluoro-4-oxo-pentanoate
  • methyl (3s)-5-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-pentanoate
  • methyl (3s)-5-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate
  • pentanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-5-fluoro-4-oxo-, methyl ester
InChIKey MXOOUCRHWJYCAL-ZETCQYMHSA-N
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Elements H C N O F