2.0 2015-09-08 17:48:30 -0600 2015-09-08 17:48:30 -0600 ECMDB24023 M2MDB006140 N6-Acetyl-L-lysine C8H16N2O3 188.2242 188.116092388 (2S)-2-amino-6-acetamidohexanoic acid N6-acetyllysine CC(=O)NCCCC[C@H](N)C(O)=O 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 DTERQYGMUDWYAZ-ZETCQYMHSA-N logp -2.58 ALOGPS logs -1.03 ALOGPS solubility 1.75e+01 g/l ALOGPS logp -3.2 ChemAxon pka_strongest_acidic 2.43 ChemAxon pka_strongest_basic 9.53 ChemAxon iupac (2S)-2-amino-6-acetamidohexanoic acid ChemAxon average_mass 188.2242 ChemAxon mono_mass 188.116092388 ChemAxon smiles CC(=O)NCCCC[C@H](N)C(O)=O ChemAxon formula C8H16N2O3 ChemAxon 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 ChemAxon inchikey DTERQYGMUDWYAZ-ZETCQYMHSA-N ChemAxon polar_surface_area 92.42 ChemAxon refractivity 47.25 ChemAxon polarizability 20.29 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 1594 Specdb::CMs 26408 Specdb::CMs 31071 Specdb::CMs 31715 Specdb::CMs 31716 Specdb::CMs 37355 Specdb::CMs 147913 Specdb::CMs 1054031 Specdb::CMs 1054032 Specdb::CMs 1054034 Specdb::CMs 1054036 Specdb::CMs 1054038 Specdb::NmrOneD 1188 Specdb::NmrOneD 142850 Specdb::NmrOneD 142851 Specdb::NmrOneD 142852 Specdb::NmrOneD 142853 Specdb::NmrOneD 142854 Specdb::NmrOneD 142855 Specdb::NmrOneD 142856 Specdb::NmrOneD 142857 Specdb::NmrOneD 142858 Specdb::NmrOneD 142859 Specdb::NmrOneD 142860 Specdb::NmrOneD 142861 Specdb::NmrOneD 142862 Specdb::NmrOneD 142863 Specdb::NmrOneD 142864 Specdb::NmrOneD 142865 Specdb::NmrOneD 142866 Specdb::NmrOneD 142867 Specdb::NmrOneD 142868 Specdb::NmrOneD 142869 Specdb::MsMs 331 Specdb::MsMs 332 Specdb::MsMs 333 Specdb::MsMs 3602 Specdb::MsMs 3603 Specdb::MsMs 3604 Specdb::MsMs 3605 Specdb::MsMs 3606 Specdb::MsMs 3607 Specdb::MsMs 3608 Specdb::MsMs 3609 Specdb::MsMs 3610 Specdb::MsMs 3611 Specdb::MsMs 324550 Specdb::MsMs 324551 Specdb::MsMs 324552 Specdb::MsMs 372982 Specdb::MsMs 372983 Specdb::MsMs 372984 Specdb::MsMs 437284 Specdb::MsMs 437285 Specdb::MsMs 437286 Specdb::MsMs 437287 Specdb::MsMs 437288 Specdb::MsMs 445741 Specdb::NmrTwoD 1205