chempirical

tert-Butoxycarbonyl-L-asparagine

C9H16N2O5CAS 7536-55-2232.24 g/mol

Open in Covalent MOL file
OONHNH2OOHO
Carboxylic acid

Properties

Molecular formula
C9H16N2O5
Molar mass
232.24 g/mol
Exact mass
232.1059 Da
Melting point
182 °C
logP
1.09Crippen estimate
Polar surface area
123.2 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
7536-55-2
SMILES
CC(C)(C)OC(O)=N[C@@H](CC(=N)O)C(=O)O
InChIKey
FYYSQDHBALBGHX-YFKPBYRVSA-N
InChI
InChI=1S/C9H16N2O5/c1-9(2,3)16-8(15)11-5(7(13)14)4-6(10)12/h5H,4H2,1-3H3,(H2,10,12)(H,11,15)(H,13,14)/t5-/m0/s1

Weigh it out

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

Names and synonyms

17 names · show all
  • L-Asparagine, N2-[(1,1-dimethylethoxy)carbonyl]-
  • Asparagine, N2-carboxy-, N2-tert-butyl ester, L-
  • N2-[(1,1-Dimethylethoxy)carbonyl]-L-asparagine
  • tert-Butyloxycarbonyl-L-asparagine
  • Nα-tert-Butoxycarbonyl-L-asparagine
  • N2-tert-Butoxycarbonyl-L-asparagine
  • N-(tert-Butoxycarbonyl)-L-asparagine
  • BOC-Asparagine
  • BOC-L-asparagine
  • Nα-(tert-Butoxycarbonyl)asparagine
  • (2S)-2-((tert-Butoxycarbonyl)amino)-3-carbamoylpropanoic acid
  • N-Boc-L-asparagine
  • NSC 154980
  • (S)-4-Amino-2-[(tert-butoxycarbonyl)amino]-4-oxobutanoic acid
  • Boc-L-asn-OH
  • (2S)-2-[[(tert-Butoxy)carbonyl]amino]-3-carbamoylpropanoic acid
  • (2S)-4-Amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid

Work with tert-Butoxycarbonyl-L-asparagine

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

Boc-L-glutamine13726-85-776 % similar N-tert-Butoxycarbonyl-L-aspartic acid13726-67-571 % similar Boc-L-serine3262-72-466 % similar (2S)-2-[[(1,1-Dimethylethoxy)carbonyl]amino]butanoic acid34306-42-866 % similar N-[(1,1-Dimethylethoxy)carbonyl]-D-serine6368-20-366 % similar N-[(1,1-Dimethylethoxy)carbonyl]-O-(1,1-dimethylethyl)-L-serine13734-38-864 % similar Boc-L-leucine13139-15-663 % similar tert-Butoxycarbonyl-D-leucine16937-99-863 % similar

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

Elsewhere

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