Diethyl L-glutamate hydrochloride

C₉H₁₈ClNO₄CAS 1118-89-4239.70 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₉H₁₈ClNO₄
Molar mass: 239.70 g/mol
Exact mass: 239.0924 Da
Melting point: 112–113 °C
logP: 0.64Crippen estimate
Polar surface area: 78.6 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 6
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

1118-89-4

SMILES

CCOC(=O)CC[C@H](N)C(=O)OCC.Cl

InChIKey

WSEQLMQNPBNMSL-FJXQXJEOSA-N

InChI

InChI=1S/C9H17NO4.ClH/c1-3-13-8(11)6-5-7(10)9(12)14-4-2;/h7H,3-6,10H2,1-2H3;1H/t7-;/m0./s1

Weigh it out

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

Names and synonyms

9 names

L-Glutamic acid, 1,5-diethyl ester, hydrochloride (1:1)
Glutamic acid, diethyl ester, hydrochloride, L-
L-Glutamic acid, diethyl ester, hydrochloride
Diethyl glutamate hydrochloride
Glutamic acid diethyl ester hydrochloride
NSC 12960
NSC 17007
(S)-1,5-Diethoxy-1,5-dioxopentan-2-amine hydrochloride
(S)-Diethyl 2-aminopentanedioate hydrochloride

Work with Diethyl L-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-Norvaline, ethyl ester, hydrochloride (1:1)40918-51-269 % similar L-Methionine O-ethyl ester hydrochloride2899-36-764 % similar (S)-Ethyl 2,5-diaminopentanoate dihydrochloride84772-29-264 % similar Lysine ethyl ester dihydrochloride3844-53-963 % similar Ethyl L-glutamate1119-33-162 % similar L-Seryl ethyl ester hydrochloride26348-61-861 % similar Ethyl cysteinate hydrochloride868-59-761 % similar Dimethyl L-glutamate hydrochloride23150-65-459 % similar

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

Same formula

(±)-Acetylcarnitine chloride2504-11-2 Acetyl L-carnitine hydrochloride5080-50-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook