3-Amino-3-[3-(trifluoromethyl)phenyl]propanoic acid

C₁₀H₁₀F₃NO₂CAS 143438-91-9233.19 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

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

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

143438-91-9

SMILES

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

InChIKey

WZXBASRNQXYUIP-UHFFFAOYSA-N

InChI

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

Weigh it out

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Work with 3-Amino-3-[3-(trifluoromethyl)phenyl]propanoic 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

β-Amino-3-fluorobenzenepropanoic acid117391-51-267 % similar (R)-3-Amino-3-(3-chlorophenyl)propanoic acid262429-49-263 % similar 3-Amino-3-(3-chlorophenyl)propanoic acid68208-21-963 % similar Dl-beta-(3-bromophenyl)alanine117391-50-161 % similar 3-(Trifluoromethyl)-DL-phenylglycine242475-26-961 % similar (S)-3-Amino-3-(3-bromo-phenyl)-propionic acid275826-35-261 % similar 3-Amino-3-(3-methylphenyl)propanoic acid68208-17-361 % similar (+)-3-Amino-3-phenylpropanoic acid13921-90-960 % 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 D-3-Trifluoromethylphenylalanine14464-67-6 3-Trifluoromethyl-L-phenylalanine14464-68-7 3-Amino-3-(4-trifluoromethylphenyl)-propionic acid180263-44-9 2-Amino-3-(2-(trifluoromethyl)phenyl)propanoic Acid3832-73-3 3-(Trifluoromethyl)-dl-phenylalanine63701-37-1

Elsewhere

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