chempirical

Boc-L-glutamine

C10H18N2O5CAS 13726-85-7246.26 g/mol

Open in Covalent MOL file
OONHNH2OOHO
Carboxylic acid

Properties

Molecular formula
C10H18N2O5
Molar mass
246.26 g/mol
Exact mass
246.1216 Da
Melting point
48–49.8 °C
logP
1.48Crippen estimate
Polar surface area
123.2 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
13726-85-7
SMILES
CC(C)(C)OC(O)=N[C@@H](CCC(=N)O)C(=O)O
InChIKey
VVNYDCGZZSTUBC-LURJTMIESA-N
InChI
InChI=1S/C10H18N2O5/c1-10(2,3)17-9(16)12-6(8(14)15)4-5-7(11)13/h6H,4-5H2,1-3H3,(H2,11,13)(H,12,16)(H,14,15)/t6-/m0/s1

Weigh it out

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

Names and synonyms

15 names · show all
  • L-Glutamine, N2-[(1,1-dimethylethoxy)carbonyl]-
  • Glutamine, N2-carboxy-, N2-tert-butyl ester, L-
  • Glutamine, N2-carboxy-, N-tert-butyl ester
  • N2-[(1,1-Dimethylethoxy)carbonyl]-L-glutamine
  • tert-Butoxycarbonyl-L-glutamine
  • Nα-tert-Butoxycarbonyl-L-glutamine
  • N2-tert-Butoxycarbonyl-L-glutamine
  • N-(tert-Butoxycarbonyl)glutamine
  • BOC-glutamine
  • Nα-(tert-Butoxycarbonyl)glutamine
  • N-(tert-Butoxycarbonyl)-L-glutamine
  • NSC 334370
  • (S)-2-[(tert-Butoxycarbonyl)amino]-4-carbamoylbutanoic acid
  • (S)-5-Amino-2-[(tert-butoxycarbonyl)amino]-5-oxopentanoic acid
  • (2S)-5-Amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid

Work with Boc-L-glutamine

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

tert-Butoxycarbonyl-L-asparagine7536-55-276 % similar 5-(1,1-Dimethylethyl) hydrogen N-[(1,1-dimethylethoxy)carbonyl]-L-glutamate13726-84-674 % similar N-[(1,1-Dimethylethoxy)carbonyl]-L-homoserine41088-86-267 % similar N-[(1,1-Dimethylethoxy)carbonyl]-D-norleucine55674-63-064 % similar N-tert-Butoxycarbonyl-L-norleucine6404-28-064 % similar 5-Cyclohexyl hydrogen N-[(1,1-dimethylethoxy)carbonyl]-L-glutamate73821-97-363 % similar Boc-L-methionine2488-15-563 % similar N-(tert-Butyloxycarbonyl)-D-methionine5241-66-763 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook