N-Acetyl-2-fluoro-3-phenyl-DL-alanine

C₁₁H₁₂FNO₃CAS 66574-84-3225.22 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic 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 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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

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)

Weigh it out

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

Names and synonyms

6 names

N-Acetyl-2-fluorophenylalanine
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-fluoro-3-phenyl-DL-alanine

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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