(3R)-3-Amino-4-phenylbutanoic acid hydrochloride

C₁₀H₁₄ClNO₂CAS 145149-50-4215.68 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₁₀H₁₄ClNO₂
Molar mass: 215.68 g/mol
Exact mass: 215.0713 Da
logP: 1.45Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 4
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

145149-50-4

SMILES

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

InChIKey

MQTMGKGSJOPWJW-SBSPUUFOSA-N

InChI

InChI=1S/C10H13NO2.ClH/c11-9(7-10(12)13)6-8-4-2-1-3-5-8;/h1-5,9H,6-7,11H2,(H,12,13);1H/t9-;/m1./s1

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Names and synonyms

1 names

(R)-3-Amino-4-phenylbutyric acid hydrochloride

Work with (3R)-3-Amino-4-phenylbutanoic 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

β-Aminobenzenebutanoic acid15099-85-190 % similar (βS)-β-Amino-4-chlorobenzenebutanoic acid270596-41-363 % similar (βS)-β-Amino-3-fluorobenzenebutanoic acid270596-50-463 % similar (3R)-3-Amino-3-phenylpropanoic acid hydrochloride83649-48-361 % similar (βS)-β-Amino-3-thiophenebutanoic acid270262-99-259 % similar 2,5-Hexanediamine, 1,6-diphenyl-, hydrochloride (1:2), (2R,5R)-1247119-31-859 % similar Benzylsuccinic acid36092-42-956 % similar (2S)-2-(Phenylmethyl)butanedioic acid3972-36-956 % similar

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

Same formula

(S)-2-Amino-4-phenylbutanoic acid hydrochloride105382-09-0 Methyl (R)-phenylalaninate hydrochloride13033-84-6 (S)-3-Amino-4-phenylbutyric acid hydrochloride138165-77-2 (S)-3-Amino-3-phenyl propionic acid methylester hcl144494-72-4 Ethyl D-phenylglycinate hydrochloride17609-48-2 Alanine benzyl ester hydrochloride5557-83-5 (±)-Phenylalanine methyl ester hydrochloride5619-07-8 Methyl L-phenylalaninate hydrochloride7524-50-7

Elsewhere

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