chempirical

1-(9H-Fluoren-9-ylmethyl) 2-(pentafluorophenyl) (2S)-1,2-pyrrolidinedicarboxylate

C26H18F5NO4CAS 86060-90-4503.43 g/mol

Open in Covalent MOL file
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Aryl halideCarbamateEster

Properties

Molecular formula
C26H18F5NO4
Molar mass
503.43 g/mol
Exact mass
503.1156 Da
Melting point
125–127 °C
logP
5.70Crippen estimate
Polar surface area
55.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
86060-90-4
SMILES
O=C(Oc1c(F)c(F)c(F)c(F)c1F)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIKey
CQBLOHXKGUNWRV-SFHVURJKSA-N
InChI
InChI=1S/C26H18F5NO4/c27-19-20(28)22(30)24(23(31)21(19)29)36-25(33)18-10-5-11-32(18)26(34)35-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H,5,10-12H2/t18-/m0/s1

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Names and synonyms

4 names
  • 1,2-Pyrrolidinedicarboxylic acid, 1-(9H-fluoren-9-ylmethyl) 2-(pentafluorophenyl) ester, (2S)-
  • 1,2-Pyrrolidinedicarboxylic acid, 1-(9H-fluoren-9-ylmethyl) 2-(pentafluorophenyl) ester, (S)-
  • N-(Fluorenylmethoxycarbonyl)proline pentafluorophenyl ester
  • N-9-Fluorenylmethoxycarbonyl-L-proline pentafluorophenyl ester

Work with 1-(9H-Fluoren-9-ylmethyl) 2-(pentafluorophenyl) (2S)-1,2-pyrrolidinedicarboxylate

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-pro-oh71989-31-663 % similar N-Alpha-(9-Fluorenylmethyloxycarbonyl)-L-prolinyl-L-proline129223-22-958 % similar Fmoc-D-ala-opfp125043-04-155 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-methionine 2,3,4,5,6-pentafluorophenyl ester86060-94-849 % similar Fmoc-cys(trt)-opfp115520-21-348 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]glycine 2,3,4,5,6-pentafluorophenyl ester86060-85-748 % similar Fmoc-asn(trt)-opfp132388-64-847 % similar (4S)-1-Fmoc-4-methyl-L-proline1228577-03-446 % similar

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

Elsewhere

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