(R)-3-Amino-4-(p-tolyl)butanoic acid hydrochloride

C₁₁H₁₆ClNO₂CAS 177839-85-9229.70 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₁₁H₁₆ClNO₂
Molar mass: 229.70 g/mol
Exact mass: 229.0870 Da
logP: 1.76Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 4
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

177839-85-9

SMILES

CC1=CC=C(C=C1)C[C@H](CC(=O)O)N.Cl

InChIKey

LUJTZKGPNYDSGW-HNCPQSOCSA-N

InChI

InChI=1S/C11H15NO2.ClH/c1-8-2-4-9(5-3-8)6-10(12)7-11(13)14;/h2-5,10H,6-7,12H2,1H3,(H,13,14);1H/t10-;/m1./s1

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Names and synonyms

1 names

(R)-3-Amino-4-(4-methylphenyl)butanoic acid hydrochloride

Work with (R)-3-Amino-4-(p-tolyl)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

(3R)-3-Amino-4-phenylbutanoic acid hydrochloride145149-50-471 % similar β-Aminobenzenebutanoic acid15099-85-163 % similar (βS)-β-Amino-4-chlorobenzenebutanoic acid270596-41-363 % similar (βS)-β-Amino-4-nitrobenzenebutanoic acid270062-87-856 % similar (βS)-β-Amino-3-thiophenebutanoic acid270262-99-255 % similar (βR)-β-Amino-3,4-dichlorobenzenebutanoic acid269396-55-655 % similar (βS)-β-Amino-3,4-dichlorobenzenebutanoic acid270063-50-855 % similar P-Tolylacetic acid622-47-953 % similar

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

Same formula

2-(Chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine117977-20-5 (S)-3-Amino-3-phenylpropanoic acid ethyl ester hydrochloride167834-24-4 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride2328-12-3 Phenylalanine ethyl ester hydrochloride3182-93-2

Elsewhere

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