chempirical

N-[(1,1-Dimethylethoxy)carbonyl]-3,4-difluoro-D-phenylalanine

C14H17F2NO4CAS 205445-51-8301.29 g/mol

Open in Covalent MOL file
OONHFFOHO
Aryl halideCarboxylic acid

Properties

Molecular formula
C14H17F2NO4
Molar mass
301.29 g/mol
Exact mass
301.1126 Da
logP
2.69Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
205445-51-8
SMILES
CC(C)(C)OC(O)=N[C@H](Cc1ccc(F)c(F)c1)C(=O)O
InChIKey
CYAOPVHXASZUDE-LLVKDONJSA-N
InChI
InChI=1S/C14H17F2NO4/c1-14(2,3)21-13(20)17-11(12(18)19)7-8-4-5-9(15)10(16)6-8/h4-6,11H,7H2,1-3H3,(H,17,20)(H,18,19)/t11-/m1/s1

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

Names and synonyms

3 names
  • D-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-3,4-difluoro-
  • (R)-2-[(tert-Butoxycarbonyl)amino]-3-(3,4-difluorophenyl)propionic acid
  • (2R)-3-(3,4-Difluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Work with N-[(1,1-Dimethylethoxy)carbonyl]-3,4-difluoro-D-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 acid57292-45-274 % similar N-[(1,1-Dimethylethoxy)carbonyl]-3-fluoro-L-phenylalanine114873-01-773 % similar N-[(1,1-Dimethylethoxy)carbonyl]-3-fluoro-D-phenylalanine114873-11-973 % similar Boc-L-tyrosine3978-80-170 % similar 3,4-Dichloro-N-[(1,1-dimethylethoxy)carbonyl]-D-phenylalanine114873-13-170 % similar (αR)-α-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-naphthalenepropanoic acid76985-10-970 % similar N-[(1,1-Dimethylethoxy)carbonyl]-4-methyl-D-phenylalanine80102-27-869 % similar N-tert-Butoxycarbonyl-D-phenylalanine18942-49-968 % similar

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

Same formula

N-[(1,1-Dimethylethoxy)carbonyl]-3,5-difluoro-L-phenylalanine205445-52-9

Elsewhere

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