1,5-Dimethyl 2-aminopentanedioate hydrochloride

C₇H₁₄ClNO₄CAS 13515-99-6211.64 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
logP: -0.14Crippen estimate
Polar surface area: 78.6 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

13515-99-6

SMILES

COC(=O)CCC(C(=O)OC)N.Cl

InChIKey

MFUPLHQOVIUESQ-UHFFFAOYSA-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

Weigh it out

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

Names and synonyms

1 names

Dimethyl dl-glutamate hydrochloride

Work with 1,5-Dimethyl 2-aminopentanedioate 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 hydrochloride23150-65-4Defined stereoisomer Dimethyl D-glutamate hydrochloride27025-25-8Defined stereoisomer

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

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