L-Glutamine methyl ester hydrochloride

C6H13ClN2O3CAS 32668-14-7196.63 g/mol

Open in Covalent MOL file
OOONH2NH2HCl
AmideEsterPrimary amine

Properties

Molecular formula
C6H13ClN2O3
Molar mass
196.63 g/mol
Exact mass
196.0615 Da
logP
-0.83Crippen estimate
Polar surface area
95.4 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number
32668-14-7
SMILES
COC(=O)[C@H](CCC(=O)N)N.Cl
InChIKey
HGYBXODOMJPMNO-WCCKRBBISA-N
InChI
InChI=1S/C6H12N2O3.ClH/c1-11-6(10)4(7)2-3-5(8)9;/h4H,2-3,7H2,1H3,(H2,8,9);1H/t4-;/m0./s1

Weigh it out

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

Work with L-Glutamine methyl ester 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

D-Glutamine methyl ester hydrochloride74817-54-2Enantiomer

Similar compounds

1,5-Dimethyl 2-aminopentanedioate hydrochloride13515-99-674 % similar Dimethyl L-glutamate hydrochloride23150-65-474 % similar Dimethyl D-glutamate hydrochloride27025-25-874 % similar Methyl L-ornithine dihydrochloride40216-82-869 % similar Methyl L-lysinate dihydrochloride26348-70-967 % similar (S)-Methyl 2-aminobutanoate hydrochloride56545-22-367 % similar D-Lysine methyl ester dihydrochloride67396-08-167 % similar Methyl D-homoalaninate hcl85774-09-067 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(S)-trans-2-Amino-4-(2-aminoethoxy)-3-butenoic acid hydrochloride55720-26-8

Elsewhere

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