N-[4-(Trifluoromethyl)benzoyl]-L-methionine methyl ester

C₁₄H₁₆F₃NO₃SCAS 175202-25-2335.34 g/mol

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Alkyl halide Amide Ester Sulfide

Properties

Molecular formula: C₁₄H₁₆F₃NO₃S
Molar mass: 335.34 g/mol
Exact mass: 335.0803 Da
logP: 2.73Crippen estimate
Polar surface area: 55.4 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 6
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

175202-25-2

SMILES

COC(=O)[C@H](CCSC)NC(=O)c1ccc(C(F)(F)F)cc1

InChIKey

JNLLBMUHOJPZON-NSHDSACASA-N

InChI

InChI=1S/C14H16F3NO3S/c1-21-13(20)11(7-8-22-2)18-12(19)9-3-5-10(6-4-9)14(15,16)17/h3-6,11H,7-8H2,1-2H3,(H,18,19)/t11-/m0/s1

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Names and synonyms

1 names

L-Methionine, N-[4-(trifluoromethyl)benzoyl]-, methyl ester

Work with N-[4-(Trifluoromethyl)benzoyl]-L-methionine methyl ester

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

p-(Trifluoromethyl)benzoylhydrazine339-59-340 % similar Methionine methyl ester hydrochloride2491-18-138 % similar 1,5-Diethyl N-(4-aminobenzoyl)-L-glutamate13726-52-836 % similar 1,5-Diethyl N-[4-(methylamino)benzoyl]-L-glutamate2378-95-236 % similar Ethyl 4-trifluoromethylbenzoate583-02-836 % similar 5-Methoxy-1-[4-(trifluoromethyl)phenyl]-1-pentanone61718-80-735 % similar 4-(Trifluoromethyl)acetophenone709-63-735 % similar N-(Triphenylmethyl)-L-serine methyl ester4465-44-534 % similar

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

Elsewhere

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