Methyl L-asparaginate hydrochloride

C₅H₁₁ClN₂O₃CAS 57461-34-4182.60 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₅H₁₁ClN₂O₃
Molar mass: 182.60 g/mol
Exact mass: 182.0458 Da
logP: -0.17Crippen estimate
Polar surface area: 96.4 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

57461-34-4

SMILES

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

InChIKey

QOMQXHIJXUDQSS-DFWYDOINSA-N

InChI

InChI=1S/C5H10N2O3.ClH/c1-10-5(9)3(6)2-4(7)8;/h3H,2,6H2,1H3,(H2,7,8);1H/t3-;/m0./s1

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Names and synonyms

2 names

L-Asparagine, methyl ester, hydrochloride (1:1)
L-Asparagine, methyl ester, monohydrochloride

Work with Methyl L-asparaginate 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

Dimethyl aspartate hydrochloride32213-95-962 % similar L-Asparagine tert-butyl ester25456-86-462 % similar Methyl L-aspartate17812-32-759 % similar Methyl 2-amino-3-hydroxypropionate hydrochloride5619-04-559 % similar Serine methyl ester hydrochloride5680-80-859 % similar Methyl D-serinate hydrochloride5874-57-759 % similar 1-Methyl hydrogen D-aspartate65414-78-059 % similar 3-Chloro-D-alanine methyl ester,hydrochloride112346-82-455 % similar

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

Elsewhere

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