chempirical

Fmoc-L-4-fluorophe

C24H20FNO4CAS 169243-86-1405.43 g/mol

Open in Covalent MOL file
OONHFOHO
Aryl halideCarbamateCarboxylic acid

Properties

Molecular formula
C24H20FNO4
Molar mass
405.43 g/mol
Exact mass
405.1376 Da
logP
4.36Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
169243-86-1
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC=C(C=C4)F)C(=O)O
InChIKey
IXUMACXMEZBPJG-QFIPXVFZSA-N
InChI
InChI=1S/C24H20FNO4/c25-16-11-9-15(10-12-16)13-22(23(27)28)26-24(29)30-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,26,29)(H,27,28)/t22-/m0/s1

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Names and synonyms

1 names
  • N-(((9H-Fluoren-9-yl)methoxy)carbonyl)-4-fluoro-L-phenylalanine

Work with Fmoc-L-4-fluorophe

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-D-4-chlorophe142994-19-277 % similar (S)-N-Fmoc-4-chlorophenylalanine175453-08-477 % similar Fmoc-bpa-oh117666-96-375 % similar Fmoc-D-4-carbamoylphe1217610-39-375 % similar Fmoc-tyr-tyr-oh1269665-49-773 % similar (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-(tert-butoxy)phenyl)propanoic acid118488-18-971 % similar Fmoc-L-2-chlorophe198560-41-769 % similar Fmoc-3-chloro-L-phenylalanine198560-44-068 % similar

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

Same formula

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-fluoro-D-phenylalanine177966-64-2 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-fluoro-D-phenylalanine198545-72-1 Fmoc-L-3-fluorophe198560-68-8 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-2-fluoro-L-phenylalanine205526-26-7

Elsewhere

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