1.0 2010-04-08 22:09:49 UTC 2018-05-28 23:31:32 UTC FDB011778 L-Lysopine Isolated from crown gall tumours of various plants including tomato, jerusalem artichoke and salsify. C9H18N2O4 218.2502 218.126657074 6-amino-2-[(1-carboxyethyl)amino]hexanoic acid 6-amino-2-[(1-carboxyethyl)amino]hexanoic acid CC(NC(CCCCN)C(O)=O)C(O)=O InChI=1S/C9H18N2O4/c1-6(8(12)13)11-7(9(14)15)4-2-3-5-10/h6-7,11H,2-5,10H2,1H3,(H,12,13)(H,14,15) ZZYYVZYAZCMNPG-UHFFFAOYSA-N belongs to the class of organic compounds known as alanine and derivatives. Alanine and derivatives are compounds containing alanine or a derivative thereof resulting from reaction of alanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Alanine and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic acyclic compounds Alpha amino acids Amino acids Amino fatty acids Carbonyl compounds Carboxylic acids Dialkylamines Dicarboxylic acids and derivatives Hydrocarbon derivatives Medium-chain fatty acids Monoalkylamines Organic oxides Organopnictogen compounds Alanine or derivatives Aliphatic acyclic compound Alpha-amino acid Amine Amino acid Amino fatty acid Carbonyl group Carboxylic acid Dicarboxylic acid or derivatives Fatty acid Fatty acyl Hydrocarbon derivative Medium-chain fatty acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Secondary aliphatic amine Secondary amine logp -2.77 ALOGPS logs -1.03 ALOGPS solubility 2.02e+01 g/l ALOGPS melting_point Mp 240 dec. (double Mp) logp -5 ChemAxon pka_strongest_acidic 2.9 ChemAxon pka_strongest_basic 10.22 ChemAxon iupac 6-amino-2-[(1-carboxyethyl)amino]hexanoic acid ChemAxon average_mass 218.2502 ChemAxon mono_mass 218.126657074 ChemAxon smiles CC(NC(CCCCN)C(O)=O)C(O)=O ChemAxon formula C9H18N2O4 ChemAxon inchi InChI=1S/C9H18N2O4/c1-6(8(12)13)11-7(9(14)15)4-2-3-5-10/h6-7,11H,2-5,10H2,1H3,(H,12,13)(H,14,15) ChemAxon inchikey ZZYYVZYAZCMNPG-UHFFFAOYSA-N ChemAxon polar_surface_area 112.65 ChemAxon refractivity 53.16 ChemAxon polarizability 22.76 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 8750 Specdb::MsMs 8751 Specdb::MsMs 8752 Specdb::MsMs 15422 Specdb::MsMs 15423 Specdb::MsMs 15424 Specdb::MsMs 2418535 Specdb::MsMs 2418536 Specdb::MsMs 2418537 Specdb::MsMs 2543750 Specdb::MsMs 2543751 Specdb::MsMs 2543752 Specdb::CMs 18942 Specdb::CMs 43432 Specdb::CMs 130514 Specdb::CMs 138248 Specdb::NmrOneD 121478 Specdb::NmrOneD 121479 Specdb::NmrOneD 121480 Specdb::NmrOneD 121481 Specdb::NmrOneD 121482 Specdb::NmrOneD 121483 Specdb::NmrOneD 121484 Specdb::NmrOneD 121485 Specdb::NmrOneD 121486 Specdb::NmrOneD 121487 Specdb::NmrOneD 121488 Specdb::NmrOneD 121489 Specdb::NmrOneD 121490 Specdb::NmrOneD 121491 Specdb::NmrOneD 121492 Specdb::NmrOneD 121493 Specdb::NmrOneD 121494 Specdb::NmrOneD 121495 Specdb::NmrOneD 121496 Specdb::NmrOneD 121497 HMDB33675 #<Reference:0x000055ce3079fa00>