Methyl L-asparaginate hydrochloride

C5H11ClN2O3CAS 57461-34-4182.60 g/mol

Open in Covalent MOL file
OONH2NH2OHCl
EsterPrimary 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 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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

Names and synonyms

3 names
  • L-Asparagine, methyl ester, hydrochloride (1:1)
  • L-Asparagine, methyl ester, monohydrochloride
  • Methyl L-asparaginate 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 D-Aspartic acid dimethyl ester hydrochloride69630-50-862 % similar L-Asparagine tert-butyl ester25456-86-462 % similar (3S)-3-Amino-4-methoxy-4-oxobutanoic acid17812-32-759 % similar Methyl DL-serinate 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

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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