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

Hazards

Danger

H240 Heating may cause an explosion33.3% of notifiers
H302 Harmful if swallowed33.3% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P234, P235, P240, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P372+P380+P373, P403, P403+P233, P405, P410, P411, P420, P501

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

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.

Dimethyl L-glutamate hydrochloride23150-65-4Enantiomer 1,5-Dimethyl 2-aminopentanedioate hydrochloride13515-99-6Stereo not defined

Similar compounds

L-Glutamic acid 5-tert-butyl methyl ester hydrochloride6234-01-174 % similar L-Glutamine methyl ester hydrochloride32668-14-774 % similar D-Glutamine methyl ester hydrochloride74817-54-274 % similar Dimethyl aspartate hydrochloride32213-95-971 % similar D-Aspartic acid dimethyl ester hydrochloride69630-50-871 % similar Methionine methyl ester hydrochloride2491-18-162 % similar Methyl L-ornithine dihydrochloride40216-82-862 % similar H-D-Met-ome hcl69630-60-062 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Diethyl aminomalonate hydrochloride13433-00-6 Sevelamer carbonate845273-93-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook