3-Amino-3-(4-trifluoromethylphenyl)-propionic acid

C₁₀H₁₀F₃NO₂CAS 180263-44-9233.19 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid Primary amine

Properties

Molecular formula: C₁₀H₁₀F₃NO₂
Molar mass: 233.19 g/mol
Exact mass: 233.0664 Da
logP: 2.18Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3

Hazards

Warning

H319 Causes serious eye irritation100% of notifiers

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

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number

180263-44-9

SMILES

C1=CC(=CC=C1C(CC(=O)O)N)C(F)(F)F

InChIKey

ABDRZHVLIRZFQO-UHFFFAOYSA-N

InChI

InChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-6(2-4-7)8(14)5-9(15)16/h1-4,8H,5,14H2,(H,15,16)

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Names and synonyms

1 names

3-Amino-3-(4-trifluoromethyl-phenyl)-propionic acid

Work with 3-Amino-3-(4-trifluoromethylphenyl)-propionic acid

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

(R)-3-Amino-3-(4-fluorophenyl)-propionic acid151911-23-866 % similar (3S)-3-Amino-3-(4-fluorophenyl)propanoic acid151911-33-066 % similar 3-Amino-3-(4-fluorophenyl)propanoic acid325-89-366 % similar (+)-3-Amino-3-phenylpropanoic acid13921-90-962 % similar (-)-3-Amino-3-phenylpropanoic acid40856-44-862 % similar DL-β-Phenylalanine614-19-762 % similar (S)-3-Amino-3-(4-chloro-phenyl)-propionic acid131690-60-362 % similar (βR)-β-Amino-4-chlorobenzenepropanoic acid131690-61-462 % similar

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

Same formula

4-(Trifluoromethyl)-D-phenylalanine114872-99-0 4-(Trifluoromethyl)-L-phenylalanine114926-38-4 4-(Trifluoromethyl)phenylalanine14091-16-8 3-Amino-3-[3-(trifluoromethyl)phenyl]propanoic acid143438-91-9 D-3-Trifluoromethylphenylalanine14464-67-6 3-Trifluoromethyl-L-phenylalanine14464-68-7 2-Amino-3-(2-(trifluoromethyl)phenyl)propanoic Acid3832-73-3 3-(Trifluoromethyl)-dl-phenylalanine63701-37-1

Elsewhere

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