chempirical

N-Acetyl-3-fluorophenylalanine

C11H12FNO3CAS 17607-28-2225.22 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
17607-28-2
SMILES
CC(O)=NC(Cc1cccc(F)c1)C(=O)O
InChIKey
LKXNJLVPYPXTDY-UHFFFAOYSA-N
InChI
InChI=1S/C11H12FNO3/c1-7(14)13-10(11(15)16)6-8-3-2-4-9(12)5-8/h2-5,10H,6H2,1H3,(H,13,14)(H,15,16)

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

Names and synonyms

7 names
  • Phenylalanine, N-acetyl-3-fluoro-
  • Alanine, N-acetyl-3-(m-fluorophenyl)-, DL-
  • DL-Phenylalanine, N-acetyl-3-fluoro-
  • N-Acetyl-DL-m-fluorophenylalanine
  • N-Acetyl-m-fluoro-DL-phenylalanine
  • NSC 270551
  • 2-Acetamido-3-(3-fluorophenyl)propanoic acid

Work with N-Acetyl-3-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-Acetylphenylalanine10172-89-171 % similar N-Acetyl-L-phenylalanine2018-61-371 % similar N-Acetyl-dl-phenylalanine2901-75-971 % similar (αR)-α-(Acetylamino)-2-naphthalenepropanoic acid37440-01-066 % similar N-[(1,1-Dimethylethoxy)carbonyl]-3-fluoro-L-phenylalanine114873-01-765 % similar N-[(1,1-Dimethylethoxy)carbonyl]-3-fluoro-D-phenylalanine114873-11-965 % similar N-Acetyl-dl-tyrosine2901-77-162 % similar N-Acetyl-L-tyrosine537-55-362 % similar

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

Same formula

N-Acetyl-4-fluorophenylalanine17481-06-0 N-Acetyl-2-fluorophenylalanine66574-84-3

Elsewhere

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