chempirical

N-[(1,1-Dimethylethoxy)carbonyl]-4-(trifluoromethyl)-L-phenylalanine

C15H18F3NO4CAS 114873-07-3333.31 g/mol

Open in Covalent MOL file
OONHFFFOHO
Alkyl halideCarboxylic acid

Properties

Molecular formula
C15H18F3NO4
Molar mass
333.31 g/mol
Exact mass
333.1188 Da
logP
3.43Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
114873-07-3
SMILES
CC(C)(C)OC(O)=N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)O
InChIKey
SMVCCWNHCHCWAZ-NSHDSACASA-N
InChI
InChI=1S/C15H18F3NO4/c1-14(2,3)23-13(22)19-11(12(20)21)8-9-4-6-10(7-5-9)15(16,17)18/h4-7,11H,8H2,1-3H3,(H,19,22)(H,20,21)/t11-/m0/s1

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Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names
  • L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-4-(trifluoromethyl)-
  • (S)-2-[(tert-Butoxycarbonyl)amino]-3-(4-trifluoromethylphenyl)propionic acid
  • (S)-2-((tert-Butoxycarbonyl)amino)-3-(4-(trifluoromethyl)phenyl)propanoicacid

Work with N-[(1,1-Dimethylethoxy)carbonyl]-4-(trifluoromethyl)-L-phenylalanine

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

(2R)-2-(tert-Butoxycarbonylamino)-3-(4-fluorophenyl)propanoic acid57292-45-276 % similar Boc-L-tyrosine3978-80-175 % similar N-[(1,1-Dimethylethoxy)carbonyl]-4-methyl-D-phenylalanine80102-27-873 % similar N-tert-Butoxycarbonyl-D-phenylalanine18942-49-973 % similar 4-Amino-N-[(1,1-dimethylethoxy)carbonyl]-D-phenylalanine164332-89-272 % similar N-(tert-Butoxycarbonyl)-D-4-chlorophenylalanine57292-44-172 % similar N-tert-Butoxycarbonyl-4-iodo-L-phenylalanine62129-44-672 % similar 4-Cyano-N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanine131724-45-371 % similar

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

Same formula

N-[(1,1-Dimethylethoxy)carbonyl]-3-(trifluoromethyl)-L-phenylalanine142995-31-1 N-[(1,1-Dimethylethoxy)carbonyl]-3-(trifluoromethyl)-D-phenylalanine82317-82-6

Elsewhere

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