Dimethyl D-glutamate hydrochloride

C₇H₁₄ClNO₄CAS 27025-25-8211.64 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₇H₁₄ClNO₄
Molar mass: 211.64 g/mol
Exact mass: 211.0611 Da
Melting point: 91 °C
logP: -0.14Crippen estimate
Polar surface area: 78.6 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 4
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

27025-25-8

SMILES

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

InChIKey

MFUPLHQOVIUESQ-NUBCRITNSA-N

InChI

InChI=1S/C7H13NO4.ClH/c1-11-6(9)4-3-5(8)7(10)12-2;/h5H,3-4,8H2,1-2H3;1H/t5-;/m1./s1

Weigh it out

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

Names and synonyms

4 names

D-Glutamic acid, 1,5-dimethyl ester, hydrochloride (1:1)
Glutamic acid, dimethyl ester, hydrochloride, D-
D-Glutamic acid, dimethyl ester, hydrochloride
1,5-Dimethyl (2R)-2-aminopentanedioate hydrochloride

Work with Dimethyl D-glutamate 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

L-Glutamic acid 5-tert-butyl methyl ester hydrochloride6234-01-174 % similar Dimethyl aspartate hydrochloride32213-95-971 % similar Methionine methyl ester hydrochloride2491-18-162 % similar (S)-Methyl 2,5-diaminopentanoate dihydrochloride40216-82-862 % similar Methyl L-lysinate dihydrochloride26348-70-961 % similar 5-Methyl hydrogen L-glutamate1499-55-459 % similar Diethyl L-glutamate hydrochloride1118-89-459 % similar 3-Chloro-D-alanine methyl ester,hydrochloride112346-82-458 % similar

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

Same formula

Diethyl aminomalonate hydrochloride13433-00-6 1,5-Dimethyl 2-aminopentanedioate hydrochloride13515-99-6 Dimethyl L-glutamate hydrochloride23150-65-4 Sevelamer carbonate845273-93-0

Elsewhere

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