(S)-3-Amino-4-(3-chlorophenyl)butanoic acid hydrochloride

C₁₀H₁₃Cl₂NO₂CAS 270596-38-8250.12 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Primary amine

Properties

Molecular formula: C₁₀H₁₃Cl₂NO₂
Molar mass: 250.12 g/mol
Exact mass: 249.0323 Da
logP: 2.11Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

270596-38-8

SMILES

C1=CC(=CC(=C1)Cl)C[C@@H](CC(=O)O)N.Cl

InChIKey

MRFPEMYQUCEGDY-FVGYRXGTSA-N

InChI

InChI=1S/C10H12ClNO2.ClH/c11-8-3-1-2-7(4-8)5-9(12)6-10(13)14;/h1-4,9H,5-6,12H2,(H,13,14);1H/t9-;/m0./s1

Weigh it out

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

Work with (S)-3-Amino-4-(3-chlorophenyl)butanoic acid hydrochloride

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-4-(3-methylphenyl)butanoic acid hydrochloride269398-82-570 % similar (S)-3-Amino-4-phenylbutyric acid hydrochloride138165-77-270 % similar (3R)-3-Amino-4-phenylbutanoic acid hydrochloride145149-50-470 % similar (βS)-β-Amino-4-chlorobenzenebutanoic acid270596-41-366 % similar (βS)-β-Amino-3-fluorobenzenebutanoic acid270596-50-465 % similar (R)-3-Amino-4-(2-naphthyl)butanoic acid hydrochloride269398-90-564 % similar (S)-3-Amino-4-(2-naphthyl)butanoic acid hydrochloride270063-39-364 % similar (S)-3-Amino-4-(3-methylphenyl)butanoic acid hydrochloride270062-92-564 % similar

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

Same formula

DL-(p-Chlorophenyl)alanine methyl ester hydrochloride14173-40-1 (R)-3-Amino-4-(2-chlorophenyl)butanoic acid hydrochloride268734-28-7 4-Chloro-D-phenylalanine methyl ester hydrochloride33965-47-8

Elsewhere

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