(2S)-2-Amino-3-(naphthalen-2-yl)propanoic acid hydrochloride

C₁₃H₁₄ClNO₂CAS 122745-12-4251.71 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₁₃H₁₄ClNO₂
Molar mass: 251.71 g/mol
Exact mass: 251.0713 Da
logP: 2.22Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

122745-12-4

SMILES

Cl.N[C@@H](Cc1ccc2ccccc2c1)C(=O)O

InChIKey

QXEYSNIVQNSZGX-YDALLXLXSA-N

InChI

InChI=1S/C13H13NO2.ClH/c14-12(13(15)16)8-9-5-6-10-3-1-2-4-11(10)7-9;/h1-7,12H,8,14H2,(H,15,16);1H/t12-;/m0./s1

Weigh it out

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

Names and synonyms

3 names

2-Naphthalenepropanoic acid, α-amino-, hydrochloride (1:1), (αS)-
2-Naphthalenepropanoic acid, α-amino-, hydrochloride, (S)-
2-Naphthalenepropanoic acid, α-amino-, hydrochloride, (αS)-

Work with (2S)-2-Amino-3-(naphthalen-2-yl)propanoic 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

Elsewhere

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