chempirical

Acetyllysine

C8H16N2O3CAS 692-04-6188.23 g/mol

Open in Covalent MOL file
ONHNH2OOH
Carboxylic acidPrimary amine

Properties

Molecular formula
C8H16N2O3
Molar mass
188.23 g/mol
Exact mass
188.1161 Da
Melting point
246–253 °C
logP
0.55Crippen estimate
Polar surface area
95.9 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
692-04-6
SMILES
CC(O)=NCCCC[C@H](N)C(=O)O
InChIKey
DTERQYGMUDWYAZ-ZETCQYMHSA-N
InChI
InChI=1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1

Weigh it out

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

Names and synonyms

15 names · show all
  • L-Lysine, N6-acetyl-
  • Lysine, N6-acetyl-, L-
  • Lysine, N6-acetyl-
  • N6-Acetyl-L-lysine
  • ε-N-Acetyl-L-lysine
  • ω-N-Acetyl-L-lysine
  • Nε-acetyllysine
  • ε-N-Acetyllysine
  • Nε-Acetyl-L-lysine
  • L-ε-N-Acetyllysine
  • N6-Acetyllysine
  • ε-Acetyl-L-lysine
  • NSC 102777
  • 6-Acetamido-2-aminohexanoic acid
  • (2S)-6-Acetamido-2-aminohexanoic acid

Work with Acetyllysine

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

N6-(2,2,2-Trifluoroacetyl)-L-lysine10009-20-860 % similar N-Lauroyl-L-lysine52315-75-058 % similar Diaminopimelic acid583-93-758 % similar Nε-formyl-L-lysine1190-48-357 % similar 2-Aminoheptanoic acid1115-90-857 % similar N-Acetyl-L-glutamine35305-74-956 % similar (±)-2-Aminooctanoic acid644-90-655 % similar 2-Aminohexadecanoic acid7769-79-155 % similar

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

Same formula

[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-acetic acid124335-65-5 Glycyl-L-isoleucine19461-38-2 N-Acetyl-L-lysine1946-82-3 L-Asparagine tert-butyl ester25456-86-4 Leucylglycine615-82-7 L-Leucylglycine686-50-0 Glycylleucine688-14-2 Glycyl-L-leucine869-19-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia