1.0 2016-10-03 18:35:35 UTC 2020-04-22 15:49:29 UTC BMDB0012289 BMDB12289 Tetrahydrodipicolinate 2,3,4,5-Tetrahydro-2,6-pyridinedicarboxylic acid THDPA 2,3,4,5-Tetrahydro-2,6-pyridinedicarboxylate Tetrahydrodipicolinic acid (S)-2,3,4,5-Tetrahydropyridine-2,6-dicarboxylate 2,3,4,5-Tetrahydro-2,6-dipicolinate 2,3,4,5-Tetrahydrodipicolinate 2,3,4,5-Tetrahydrodipicolinic acid 2,3,4,5-Tetrahydropyridine-2,6-dicarboxylic acid Delta1-Piperideine-2,6-dicarboxylate L-2,3,4,5-Tetrahydrodipicolinate C7H9NO4 171.1507 171.053157781 2,3,4,5-tetrahydropyridine-2,6-dicarboxylic acid thdpa 2353-17-5 OC(=O)C1CCCC(=N1)C(O)=O InChI=1S/C7H9NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h4H,1-3H2,(H,9,10)(H,11,12) CXMBCXQHOXUCEO-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 Hydrocarbon derivatives Ketimines Organic oxides Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Tetrahydropyridines Aliphatic heteromonocyclic compound Alpha-amino acid or derivatives Azacycle Carbonyl group Carboxylic acid Dicarboxylic acid or derivatives 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 Tetrahydropyridine Aliphatic heteromonocyclic compounds amino dicarboxylic acid tetrahydropyridine Solid logp 0.18 ALOGPS logs -1.42 ALOGPS logp 0.66 ChemAxon pka_strongest_acidic 3.28 ChemAxon pka_strongest_basic -2 ChemAxon iupac 2,3,4,5-tetrahydropyridine-2,6-dicarboxylic acid ChemAxon average_mass 171.1507 ChemAxon mono_mass 171.053157781 ChemAxon smiles OC(=O)C1CCCC(=N1)C(O)=O ChemAxon formula C7H9NO4 ChemAxon inchi InChI=1S/C7H9NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h4H,1-3H2,(H,9,10)(H,11,12) ChemAxon inchikey CXMBCXQHOXUCEO-UHFFFAOYSA-N ChemAxon polar_surface_area 86.96 ChemAxon refractivity 38.27 ChemAxon polarizability 15.74 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::CMs 11159 Specdb::CMs 39902 Specdb::NmrOneD 324592 Specdb::NmrOneD 324593 Specdb::NmrOneD 324594 Specdb::NmrOneD 324595 Specdb::NmrOneD 324596 Specdb::NmrOneD 324597 Specdb::NmrOneD 324598 Specdb::NmrOneD 324599 Specdb::NmrOneD 324600 Specdb::NmrOneD 324601 Specdb::NmrOneD 324602 Specdb::NmrOneD 324603 Specdb::NmrOneD 324604 Specdb::NmrOneD 324605 Specdb::NmrOneD 324606 Specdb::NmrOneD 324607 Specdb::NmrOneD 324608 Specdb::NmrOneD 324609 Specdb::NmrOneD 324610 Specdb::NmrOneD 324611 Specdb::MsMs 28871 Specdb::MsMs 28872 Specdb::MsMs 28873 Specdb::MsMs 35429 Specdb::MsMs 35430 Specdb::MsMs 35431 FDB028918 612 632 32976 C03972 DELTA1-PIPERIDEINE-2-6-DICARBOXYLATE