chempirical

L-Glutamic acid di-tert-butyl ester hydrochloride

C13H26ClNO4CAS 32677-01-3295.80 g/mol

Open in Covalent MOL file
OONH2OOHCl
EsterPrimary amine

Properties

Molecular formula
C13H26ClNO4
Molar mass
295.80 g/mol
Exact mass
295.1550 Da
Melting point
133–135 °C
logP
2.20Crippen estimate
Polar surface area
78.6 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
32677-01-3
SMILES
CC(C)(C)OC(=O)CC[C@H](N)C(=O)OC(C)(C)C.Cl
InChIKey
LFEYMWCCUAOUKZ-FVGYRXGTSA-N
InChI
InChI=1S/C13H25NO4.ClH/c1-12(2,3)17-10(15)8-7-9(14)11(16)18-13(4,5)6;/h9H,7-8,14H2,1-6H3;1H/t9-;/m0./s1

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

Names and synonyms

8 names
  • L-Glutamic acid, 1,5-bis(1,1-dimethylethyl) ester, hydrochloride (1:1)
  • L-Glutamic acid, bis(1,1-dimethylethyl) ester, hydrochloride
  • Glutamic acid, di-tert-butyl ester, hydrochloride, L-
  • Di-tert-butyl glutamate hydrochloride
  • Di-tert-butyl L-glutamate hydrochloride
  • Glutamic acid di-tert-butyl ester hydrochloride
  • NSC 94681
  • Di-tert-butyl (S)-2-aminopentanedioate hydrochloride

Work with L-Glutamic acid di-tert-butyl 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 5-tert-butyl methyl ester hydrochloride6234-01-182 % similar tert-Butyl (4S)-4-amino-4-carbamoylbutanoate hydrochloride108607-02-972 % similar L-Norvaline, 1,1-dimethylethyl ester, hydrochloride (1:1)119483-47-568 % similar H-Glu(obzl)-otbu hcl105590-97-466 % similar 5-(1,1-Dimethylethyl) hydrogen L-glutamate2419-56-963 % similar 1-(1,1-Dimethylethyl) hydrogen L-glutamate45120-30-763 % similar H-D-Leu-otbu hcl13081-32-860 % similar Dimethyl L-glutamate hydrochloride23150-65-457 % similar

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

Elsewhere

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