chempirical

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]glycine 2,3,4,5,6-pentafluorophenyl ester

C23H14F5NO4CAS 86060-85-7463.36 g/mol

Open in Covalent MOL file
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Aryl halideEster

Properties

Molecular formula
C23H14F5NO4
Molar mass
463.36 g/mol
Exact mass
463.0843 Da
Melting point
156.3–157.4 °C
logP
5.03Crippen estimate
Polar surface area
68.1 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
5

Identifiers

CAS number
86060-85-7
SMILES
O=C(CN=C(O)OCC1c2ccccc2-c2ccccc21)Oc1c(F)c(F)c(F)c(F)c1F
InChIKey
LBSDTBJWUJIFBO-UHFFFAOYSA-N
InChI
InChI=1S/C23H14F5NO4/c24-17-18(25)20(27)22(21(28)19(17)26)33-16(30)9-29-23(31)32-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15H,9-10H2,(H,29,31)

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Names and synonyms

4 names
  • Glycine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 2,3,4,5,6-pentafluorophenyl ester
  • Glycine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, pentafluorophenyl ester
  • N-(Fluorenylmethoxycarbonyl)glycine pentafluorophenyl ester
  • N-9-Fluorenylmethoxycarbonylglycine pentafluorophenyl ester

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Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Fmoc-gly-oh29022-11-563 % similar 5-(1,1-Dimethylethyl) 1-(2,3,4,5,6-pentafluorophenyl) N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-glutamate86061-04-360 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-methionine 2,3,4,5,6-pentafluorophenyl ester86060-94-857 % similar L-Cysteine, S-[(acetylamino)methyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, pentafluorophenyl ester86060-96-055 % similar N2-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-(triphenylmethyl)-L-glutamine 2,3,4,5,6-pentafluorophenyl ester132388-65-954 % similar Fmoc-D-ala-opfp125043-04-151 % similar 5-Methyl hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-glutamate145038-50-249 % similar 8-(9-Fluorenylmethoxycarbonylamino)-3,6-dioxaoctanoic acid166108-71-049 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

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