(S)-3-Amino-4-(2-fluorophenyl)butanoic acid hydrochloride

C₁₀H₁₃ClFNO₂CAS 246876-92-6233.67 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Primary amine

Properties

Molecular formula: C₁₀H₁₃ClFNO₂
Molar mass: 233.67 g/mol
Exact mass: 233.0619 Da
logP: 1.59Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

246876-92-6

SMILES

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

InChIKey

JZQZLHARRLTFJX-QRPNPIFTSA-N

InChI

InChI=1S/C10H12FNO2.ClH/c11-9-4-2-1-3-7(9)5-8(12)6-10(13)14;/h1-4,8H,5-6,12H2,(H,13,14);1H/t8-;/m0./s1

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Work with (S)-3-Amino-4-(2-fluorophenyl)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-(2-chlorophenyl)butanoic acid hydrochloride268734-28-767 % similar (S)-3-Amino-4-(1-naphthyl)butanoic acid hydrochloride270063-00-867 % similar (S)-3-Amino-4-phenylbutyric acid hydrochloride138165-77-263 % similar (3R)-3-Amino-4-phenylbutanoic acid hydrochloride145149-50-463 % similar (βR)-β-Amino-1-naphthalenebutanoic acid269398-88-160 % similar (βS)-β-Amino-2-chlorobenzenebutanoic acid270596-36-660 % similar L-Beta-homotryptophan hydrochloride192003-01-358 % similar (R)-3-Amino-4-(3-benzothienyl)butanoic acid hydrochloride269398-95-058 % similar

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

Same formula

(S)-3-Amino-4-(4-fluorophenyl)butanoic acid hydrochloride270596-53-7

Elsewhere

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