chempirical

N-tert-Butoxycarbonyl-L-aspartic acid

C9H15NO6CAS 13726-67-5233.22 g/mol

Open in Covalent MOL file
OONHOOHOHO
Carboxylic acid

Properties

Molecular formula
C9H15NO6
Molar mass
233.22 g/mol
Exact mass
233.0899 Da
Melting point
175–176 °C
logP
0.64Crippen estimate
Polar surface area
116.4 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
13726-67-5
SMILES
CC(C)(C)OC(O)=N[C@@H](CC(=O)O)C(=O)O
InChIKey
KAJBMCZQVSQJDE-YFKPBYRVSA-N
InChI
InChI=1S/C9H15NO6/c1-9(2,3)16-8(15)10-5(7(13)14)4-6(11)12/h5H,4H2,1-3H3,(H,10,15)(H,11,12)(H,13,14)/t5-/m0/s1

Weigh it out

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

Names and synonyms

12 names
  • L-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-
  • Aspartic acid, N-carboxy-, N-tert-butyl ester, L-
  • Aspartic acid, N-carboxy-, N-tert-butyl ester
  • N-[(1,1-Dimethylethoxy)carbonyl]-L-aspartic acid
  • Nα-(tert-Butyloxycarbonyl)aspartic acid
  • N-(tert-Butoxycarbonyl)aspartic acid
  • N-tert-Butyloxycarbonyl-L-aspartic acid
  • N-Boc-L-aspartic acid
  • NSC 186910
  • Boc-L-aspartic acid
  • (2S)-2-[(2-Methylpropan-2-yl)oxycarbonylamino]butanedioic acid
  • (2S)-2-[[(tert-Butoxy)carbonyl]amino]butanedioic acid

Work with N-tert-Butoxycarbonyl-L-aspartic acid

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-asparagine7536-55-271 % similar Boc-L-serine3262-72-469 % similar (2S)-2-[[(1,1-Dimethylethoxy)carbonyl]amino]butanoic acid34306-42-869 % similar N-[(1,1-Dimethylethoxy)carbonyl]-D-serine6368-20-369 % similar N-[(1,1-Dimethylethoxy)carbonyl]-O-(1,1-dimethylethyl)-L-serine13734-38-868 % similar Boc-L-leucine13139-15-666 % similar tert-Butoxycarbonyl-D-leucine16937-99-866 % similar N-[(1,1-Dimethylethoxy)carbonyl]-L-homoserine41088-86-266 % similar

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

Elsewhere

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