Dl-beta-(3-bromophenyl)alanine

C₉H₁₀BrNO₂CAS 117391-50-1244.09 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Primary amine

Properties

Molecular formula: C₉H₁₀BrNO₂
Molar mass: 244.09 g/mol
Exact mass: 242.9895 Da
logP: 1.92Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3

Identifiers

CAS number

117391-50-1

SMILES

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

InChIKey

RLYAXKJHJUXZOT-UHFFFAOYSA-N

InChI

InChI=1S/C9H10BrNO2/c10-7-3-1-2-6(4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)

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Names and synonyms

1 names

3-Amino-3-(3-bromophenyl)propanoic acid

Work with Dl-beta-(3-bromophenyl)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

β-Amino-3-fluorobenzenepropanoic acid117391-51-268 % similar (R)-3-Amino-3-(3-chlorophenyl)propanoic acid262429-49-268 % similar 3-Amino-3-(3-chlorophenyl)propanoic acid68208-21-968 % similar (+)-3-Amino-3-phenylpropanoic acid13921-90-965 % similar (-)-3-Amino-3-phenylpropanoic acid40856-44-865 % similar (3R)-3-Amino-3-phenylpropanoic acid hydrochloride83649-48-364 % similar 3-Amino-3-(3-methoxyphenyl)propionic acid68208-19-561 % similar β-Amino-3-nitrobenzenepropanoic acid5678-47-760 % similar

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

Same formula

Methyl 3-amino-5-bromo-2-methylbenzoate1000342-11-9 Ethyl 5-bromo-2-methylpyridine-3-carboxylate129477-21-0 4-Bromophenylalanine14091-15-7 (S)-β-Amino-β-(4-bromophenyl)propionic acid275826-36-3 2-Bromo-6-(2-methyl-1,3-dioxolan-2-yl)pyridine49669-14-9 3-Bromo-D-phenylalanine99295-78-0

Elsewhere

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