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

C13H26ClNO4CAS 172793-31-6295.80 g/mol

Open in Covalent MOL file
OOOONH2HCl
EsterPrimary 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 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
4
Stereocentres
Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

Search the SDS library

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

Weigh it out

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

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.

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

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 tert-Butyl (2S)-2-aminopentanoate hydrochloride119483-47-568 % similar H-Glu(obzl)-otbu hcl105590-97-466 % similar 5-(1,1-Dimethylethyl) hydrogen L-glutamate2419-56-963 % similar (R)-4-Amino-5-(tert-butoxy)-5-oxopentanoic acid25456-76-263 % similar 1-(1,1-Dimethylethyl) hydrogen L-glutamate45120-30-763 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook