L-Glutamic acid 5-tert-butyl methyl ester hydrochloride

C₁₀H₂₀ClNO₄CAS 6234-01-1253.72 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₁₀H₂₀ClNO₄
Molar mass: 253.72 g/mol
Exact mass: 253.1081 Da
logP: 1.03Crippen estimate
Polar surface area: 78.6 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

6234-01-1

SMILES

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

InChIKey

YIFPACFSZQWAQF-FJXQXJEOSA-N

InChI

InChI=1S/C10H19NO4.ClH/c1-10(2,3)15-8(12)6-5-7(11)9(13)14-4;/h7H,5-6,11H2,1-4H3;1H/t7-;/m0./s1

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Names and synonyms

5 names

L-Glutamic acid, 5-(1,1-dimethylethyl) 1-methyl ester, hydrochloride (1:1)
L-Glutamic acid, 5-(1,1-dimethylethyl) 1-methyl ester, hydrochloride
Glutamic acid, 5-tert-butyl methyl ester, hydrochloride, L-
Glutamic acid, 5-tert-butyl 1-methyl ester, hydrochloride
Methyl (S)-2-amino-5-(tert-butoxy)-5-oxopentanoate hydrochloride

Work with L-Glutamic acid 5-tert-butyl 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

Similar compounds

L-Glutamic acid di-tert-butyl ester hydrochloride32677-01-382 % similar Dimethyl L-glutamate hydrochloride23150-65-474 % similar Dimethyl D-glutamate hydrochloride27025-25-874 % similar tert-Butyl (4S)-4-amino-4-carbamoylbutanoate hydrochloride108607-02-967 % similar H-Dap(boc)-ome hcl114559-25-059 % similar 5-(1,1-Dimethylethyl) hydrogen L-glutamate2419-56-958 % similar Nε-tert-Butoxycarbonyllysine methyl ester hydrochloride2389-48-257 % similar Dimethyl aspartate hydrochloride32213-95-956 % similar

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

Same formula

Dromos119793-66-7

Elsewhere

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