D-Glutamine methyl ester hydrochloride

C₆H₁₃ClN₂O₃CAS 74817-54-2196.63 g/mol

Open in Covalent MOL file

Amide Ester Primary 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 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 4
Stereocentres: Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

74817-54-2

SMILES

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

InChIKey

HGYBXODOMJPMNO-PGMHMLKASA-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-;/m1./s1

Weigh it out

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

Work with D-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.

L-Glutamine methyl ester hydrochloride32668-14-7Enantiomer

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 (S)-Methyl 2,5-diaminopentanoate 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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