chempirical

N-Acetyl-2-fluorophenylalanine

C11H12FNO3CAS 66574-84-3225.22 g/mol

Open in Covalent MOL file
ONHFOHO
Aryl halideCarboxylic acid

Properties

Molecular formula
C11H12FNO3
Molar mass
225.22 g/mol
Exact mass
225.0801 Da
logP
1.80Crippen estimate
Polar surface area
69.9 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4

Identifiers

CAS number
66574-84-3
SMILES
CC(O)=NC(Cc1ccccc1F)C(=O)O
InChIKey
ZKZPFAQDTBSPJH-UHFFFAOYSA-N
InChI
InChI=1S/C11H12FNO3/c1-7(14)13-10(11(15)16)6-8-4-2-3-5-9(8)12/h2-5,10H,6H2,1H3,(H,13,14)(H,15,16)

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Names and synonyms

5 names
  • Phenylalanine, N-acetyl-2-fluoro-
  • DL-Phenylalanine, N-acetyl-2-fluoro-
  • N-Acetyl-2-fluoro-DL-phenylalanine
  • NSC 270550
  • 2-Acetamido-3-(2-fluorophenyl)propanoic acid

Work with N-Acetyl-2-fluorophenylalanine

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

(-)-N-Acetylphenylalanine10172-89-165 % similar N-Acetyl-L-phenylalanine2018-61-365 % similar N-Acetyl-dl-phenylalanine2901-75-965 % similar N-[(1,1-Dimethylethoxy)carbonyl]-2-fluoro-L-phenylalanine114873-00-664 % similar N-[(1,1-Dimethylethoxy)carbonyl]-2-fluoro-D-phenylalanine114873-10-864 % similar Acetyl-L-tryptophan1218-34-460 % similar N-Acetyl-D-tryptophan2280-01-560 % similar N-Acetyl-dl-tryptophan87-32-160 % similar

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

Same formula

N-Acetyl-4-fluorophenylalanine17481-06-0 N-Acetyl-3-fluorophenylalanine17607-28-2

Elsewhere

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