Fmoc-(S)-3-amino-4-(4-fluoro-phenyl)-butyric acid

C₂₅H₂₂FNO₄CAS 270062-83-4419.45 g/mol

Open in Covalent MOL file

Aryl halide Carbamate Carboxylic acid

Properties

Molecular formula: C₂₅H₂₂FNO₄
Molar mass: 419.45 g/mol
Exact mass: 419.1533 Da
logP: 4.75Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 7
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

270062-83-4

SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC=C(C=C4)F)CC(=O)O

InChIKey

LTBGWPINKRNSDL-SFHVURJKSA-N

InChI

InChI=1S/C25H22FNO4/c26-17-11-9-16(10-12-17)13-18(14-24(28)29)27-25(30)31-15-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-12,18,23H,13-15H2,(H,27,30)(H,28,29)/t18-/m0/s1

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Names and synonyms

1 names

(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(4-fluorophenyl)butanoic acid

Work with Fmoc-(S)-3-amino-4-(4-fluoro-phenyl)-butyric acid

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-L-beta-homophenylalanine193954-28-884 % similar Fmoc-(R)-3-amino-4-(4-methyl-phenyl)-butyric acid269398-86-978 % similar Fmoc-(S)-3-amino-4-(4-chloro-phenyl)-butyric acid270596-43-578 % similar Fmoc-(S)-3-amino-4-(3,4-difluoro-phenyl)-butyric acid270063-55-377 % similar Fmoc-(R)-3-amino-4-(2-naphthyl)-butyric acid269398-91-674 % similar Fmoc-(S)-3-amino-4-(2-naphthyl)-butyric acid270063-40-674 % similar Fmoc-(R)-3-amino-4-(3,4-dichloro-phenyl)-butyric acid269396-57-872 % similar Fmoc-(S)-3-amino-4-(3,4-dichloro-phenyl)-butyric acid270063-52-072 % similar

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

Same formula

(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2-fluorophenyl)-2-methylpropanoic acid1172127-44-4 (βS)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-2-fluorobenzenebutanoic acid270596-49-1 Fmoc-(S)-3-amino-4-(3-fluoro-phenyl)-butyric acid270596-52-6

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