L-Beta-homotryptophan hydrochloride

C₁₂H₁₅ClN₂O₂CAS 192003-01-3254.71 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₁₂H₁₅ClN₂O₂
Molar mass: 254.71 g/mol
Exact mass: 254.0822 Da
logP: 1.93Crippen estimate
Polar surface area: 79.1 Å²
H-bond donors / acceptors: 3 / 2
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

192003-01-3

SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](CC(=O)O)N.Cl

InChIKey

XALSUNLRNHITKL-FVGYRXGTSA-N

InChI

InChI=1S/C12H14N2O2.ClH/c13-9(6-12(15)16)5-8-7-14-11-4-2-1-3-10(8)11;/h1-4,7,9,14H,5-6,13H2,(H,15,16);1H/t9-;/m0./s1

Weigh it out

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

Work with L-Beta-homotryptophan 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

(S)-3-Amino-4-(1-naphthyl)butanoic acid hydrochloride270063-00-865 % similar (R)-3-Amino-4-(3-benzothienyl)butanoic acid hydrochloride269398-95-060 % similar (S)-3-Amino-4-(3-benzothienyl)butanoic acid hydrochloride270063-44-060 % similar L-Tryptophanol2899-29-860 % similar Indole-3-acetic acid87-51-459 % similar (βR)-β-Amino-1-naphthalenebutanoic acid269398-88-159 % similar L-Tryptophanylglycine7360-09-058 % similar D-Tryptophan153-94-658 % similar

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

Same formula

(R)-Tryptophan methyl ester monohydrochloride14907-27-8 DL-Methyl tryptophanate monohydrochloride5619-09-0 Tryptophan methyl ester hydrochloride7524-52-9

Elsewhere

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