chempirical

Ibuprofen lysine

C19H32N2O4CAS 57469-77-9352.48 g/mol

Open in Covalent MOL file
OOHH2NNH2OOH
Carboxylic acidPrimary amine

Properties

Molecular formula
C19H32N2O4
Molar mass
352.48 g/mol
Exact mass
352.2362 Da
logP
2.60Crippen estimate
Polar surface area
126.6 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
9
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
57469-77-9
SMILES
CC(C)Cc1ccc(C(C)C(=O)O)cc1.NCCCC[C@H](N)C(=O)O
InChIKey
IHHXIUAEPKVVII-ZSCHJXSPSA-N
InChI
InChI=1S/C13H18O2.C6H14N2O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;7-4-2-1-3-5(8)6(9)10/h4-7,9-10H,8H2,1-3H3,(H,14,15);5H,1-4,7-8H2,(H,9,10)/t;5-/m.0/s1

Weigh it out

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

Names and synonyms

14 names · show all
  • L-Lysine, α-methyl-4-(2-methylpropyl)benzeneacetate (1:1)
  • L-Lysine, mono[α-methyl-4-(2-methylpropyl)benzeneacetate]
  • Benzeneacetic acid, α-methyl-4-(2-methylpropyl)-, compd. with L-lysine (1:1)
  • Lysine 2-(p-isobutylphenyl)propionate
  • Solufenum
  • Saren
  • Soluphene
  • Ibuprofen lysinate
  • Lisiprofen
  • Imbun
  • Imbun 500
  • Ibuprofen lysine salt
  • Arfen
  • Dolormin

Work with Ibuprofen lysine

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

Ibuprofen15687-27-167 % similar (+)-Ibuprofen51146-56-667 % similar (-)-Ibuprofen51146-57-767 % similar Ibuprofen58560-75-167 % similar Polylysine25104-18-156 % similar L-Lysine56-87-156 % similar Lysine70-54-256 % similar D-Lysine923-27-356 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook