(R)-Di-tert-butyl 2-aminopentanedioate hydrochloride

C₁₃H₂₆ClNO₄CAS 172793-31-6295.80 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₁₃H₂₆ClNO₄
Molar mass: 295.80 g/mol
Exact mass: 295.1550 Da
logP: 2.20Crippen estimate
Polar surface area: 78.6 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 4
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

172793-31-6

SMILES

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

InChIKey

LFEYMWCCUAOUKZ-SBSPUUFOSA-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-;/m1./s1

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

Names and synonyms

1 names

H-D-Glu(otbu)-otbu hcl

Work with (R)-Di-tert-butyl 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

Similar compounds

L-Glutamic acid 5-tert-butyl methyl ester hydrochloride6234-01-182 % similar H-Asp(otbu)-otbu hcl1791-13-573 % similar tert-Butyl (4S)-4-amino-4-carbamoylbutanoate hydrochloride108607-02-972 % 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 Dimethyl L-glutamate hydrochloride23150-65-457 % similar Dimethyl D-glutamate hydrochloride27025-25-857 % similar

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

Same formula

L-Glutamic acid di-tert-butyl ester hydrochloride32677-01-3

Elsewhere

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