1.0 2016-10-03 18:34:54 UTC 2020-04-22 15:49:16 UTC BMDB0012247 BMDB12247 L-2,3-Dihydrodipicolinate L-2,3-Dihydrodipicolinic acid 2,3-Di-H-dipicolinate 2,3-Dihydrodipicolinate Dihydrodipicolinate C7H7NO4 169.1348 169.037507717 2,3-dihydropyridine-2,6-dicarboxylic acid 2,3-dihydrodipicolinic acid 16052-12-3 OC(=O)C1CC=CC(=N1)C(O)=O InChI=1S/C7H7NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-2,5H,3H2,(H,9,10)(H,11,12) UWOCFOFVIBZJGH-UHFFFAOYSA-N belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Alpha amino acids and derivatives Azacyclic compounds Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Dihydropyridinecarboxylic acids and derivatives Hydrocarbon derivatives Ketimines Organic oxides Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Aliphatic heteromonocyclic compound Alpha-amino acid or derivatives Azacycle Carbonyl group Carboxylic acid Dicarboxylic acid or derivatives Dihydropyridine Dihydropyridinecarboxylic acid derivative Hydrocarbon derivative Hydropyridine Imine Ketimine Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound Aliphatic heteromonocyclic compounds dihydrodipicolinic acid Solid logp 0.12 ALOGPS logs -1.39 ALOGPS logp 0.66 ChemAxon pka_strongest_acidic 3.17 ChemAxon pka_strongest_basic -1.1 ChemAxon iupac 2,3-dihydropyridine-2,6-dicarboxylic acid ChemAxon average_mass 169.1348 ChemAxon mono_mass 169.037507717 ChemAxon smiles OC(=O)C1CC=CC(=N1)C(O)=O ChemAxon formula C7H7NO4 ChemAxon inchi InChI=1S/C7H7NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-2,5H,3H2,(H,9,10)(H,11,12) ChemAxon inchikey UWOCFOFVIBZJGH-UHFFFAOYSA-N ChemAxon polar_surface_area 86.96 ChemAxon refractivity 39.36 ChemAxon polarizability 15.08 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::NmrOneD 96598 Specdb::NmrOneD 96599 Specdb::NmrOneD 96600 Specdb::NmrOneD 96601 Specdb::NmrOneD 96602 Specdb::NmrOneD 96603 Specdb::NmrOneD 96604 Specdb::NmrOneD 96605 Specdb::NmrOneD 96606 Specdb::NmrOneD 96607 Specdb::NmrOneD 96608 Specdb::NmrOneD 96609 Specdb::NmrOneD 96610 Specdb::NmrOneD 96611 Specdb::NmrOneD 96612 Specdb::NmrOneD 96613 Specdb::NmrOneD 96614 Specdb::NmrOneD 96615 Specdb::NmrOneD 96616 Specdb::NmrOneD 96617 Specdb::MsIr 2729 Specdb::MsIr 2730 Specdb::MsIr 2731 Specdb::CMs 14882 Specdb::CMs 39883 Specdb::CMs 164885 Specdb::MsMs 25445 Specdb::MsMs 25446 Specdb::MsMs 25447 Specdb::MsMs 32003 Specdb::MsMs 32004 Specdb::MsMs 32005 Specdb::MsMs 2443606 Specdb::MsMs 2443607 Specdb::MsMs 2443608 Specdb::MsMs 2521989 Specdb::MsMs 2521990 Specdb::MsMs 2521991 FDB028889 C03340 16 17 48052 C00007500