Methyl 3-[[(1,1-dimethylethoxy)carbonyl]amino]-5-fluoro-4-oxopentanoate
C11H18FNO5
634911-80-1 Copyright (C) 2024 ACS
 18 17  0  0  0  0  0  0  0  0999 V2000
    4.6200    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600    4.0011    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.6674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4700    5.3347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600    6.6685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    6.6685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    4.0011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9064    7.4385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0100    8.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5736    5.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
M  END
> <cas.rn>
634911-80-1

> <cas.index.name>
Pentanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-5-fluoro-4-oxo-, methyl ester

> <molecular.formula>
C11H18FNO5

> <molecular.weight>
263.26

> <boiling.point.predicted>
383.513±37.00 °C    Press: 760.00 Torr

> <density.predicted>
1.150±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
10.118±0.46    Most Acidic Temp: 25 °C

$$$$
