N-Acetyl-4-fluorophenylalanine

C11H12FNO3CAS 17481-06-0225.22 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

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
17481-06-0
SMILES
CC(O)=NC(Cc1ccc(F)cc1)C(=O)O
InChIKey
NRLBRFQYMSTLJK-UHFFFAOYSA-N
InChI
InChI=1S/C11H12FNO3/c1-7(14)13-10(11(15)16)6-8-2-4-9(12)5-3-8/h2-5,10H,6H2,1H3,(H,13,14)(H,15,16)

Weigh it out

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

Names and synonyms

10 names
  • Phenylalanine, N-acetyl-4-fluoro-
  • Alanine, N-acetyl-3-(p-fluorophenyl)-, DL-
  • DL-Phenylalanine, N-acetyl-4-fluoro-
  • N-Acetyl-DL-(p-fluorophenyl)alanine
  • N-Acetyl-p-fluoro-DL-phenylalanine
  • DL-N-Acetyl-4-fluorophenylalanine
  • N-Acetyl-DL-4-fluorophenylalanine
  • N-Acetyl-4-fluoro-DL-phenylalanine
  • NSC 523829
  • 2-Acetamido-3-(4-fluorophenyl)propanoic acid

Work with N-Acetyl-4-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-Acetyl-DL-tyrosine2901-77-175 % similar N-Acetyl-L-tyrosine537-55-375 % similar (-)-N-Acetylphenylalanine10172-89-173 % similar N-Acetyl-L-phenylalanine2018-61-373 % similar N-Acetyl-DL-phenylalanine2901-75-973 % similar (αR)-α-(Acetylamino)-2-naphthalenepropanoic acid37440-01-063 % similar (2R)-2-(((tert-Butoxy)carbonyl)amino)-3-(4-fluorophenyl)propanoic acid57292-45-263 % similar N-Acetyl-3,5-diiodo-L-tyrosine1027-28-756 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-Acetyl-3-fluorophenylalanine17607-28-2 N-Acetyl-2-fluoro-3-phenyl-DL-alanine66574-84-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook