1.0 2016-09-30 22:40:52 UTC 2020-05-11 19:29:38 UTC BMDB0001084 BMDB01084 D-1-Piperideine-2-carboxylic acid 1,2-Didehydropiperidine-2-carboxylate Delta(1)-Piperidine-2-carboxylic acid 1-Piperideine-2-carboxylate 1,2-Didehydropiperidine-2-carboxylic acid delta(1)-Piperidine-2-carboxylate Δ(1)-piperidine-2-carboxylate Δ(1)-piperidine-2-carboxylic acid D-1-Piperideine-2-carboxylate delta(1)-Piperideine-2-carboxylate Delta1-Piperideine-2-carboxylate 1-p-2-CA delta 1-Piperideine-2-carboxylate delta1-Piperideine-2-carboxylic acid Δ1-piperideine-2-carboxylate Δ1-piperideine-2-carboxylic acid 3,4,5,6-Tetrahydro-2-pyridinecarboxylate 3,4,5,6-Tetrahydro-2-pyridinecarboxylic acid D-1-Piperideine-2-carboxylic acid delta1-Pipecolic acid delta1-Piperidine-2-carboxylate delta1-Piperidine-2-carboxylic acid Δ1-pipecolic acid Δ1-piperidine-2-carboxylate Δ1-piperidine-2-carboxylic acid P2C 1-Piperideine-2-carboxylic acid C6H9NO2 127.1412 127.063328537 3,4,5,6-tetrahydropyridine-2-carboxylic acid 1-piperideine-2-carboxylate 2756-89-0 OC(=O)C1=NCCCC1 InChI=1S/C6H9NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H2,(H,8,9) GEJXSVNGWOSZPC-UHFFFAOYSA-N belongs to the class of organic compounds known as tetrahydropyridines. These are derivatives of pyridine in which two double bonds in the pyridine moiety are reduced by adding four hydrogen atoms. Organic compounds Organoheterocyclic compounds Pyridines and derivatives Hydropyridines Tetrahydropyridines Azacyclic compounds Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Ketimines Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Aliphatic heteromonocyclic compound Azacycle Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Imine Ketimine Monocarboxylic acid or derivatives Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound Tetrahydropyridine Aliphatic heteromonocyclic compounds piperidinemonocarboxylic acid Solid logp 0.65 ALOGPS logs -1.39 ALOGPS logp 0.97 ChemAxon pka_strongest_acidic 4.09 ChemAxon pka_strongest_basic 1.89 ChemAxon iupac 3,4,5,6-tetrahydropyridine-2-carboxylic acid ChemAxon average_mass 127.1412 ChemAxon mono_mass 127.063328537 ChemAxon smiles OC(=O)C1=NCCCC1 ChemAxon formula C6H9NO2 ChemAxon inchi InChI=1S/C6H9NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H2,(H,8,9) ChemAxon inchikey GEJXSVNGWOSZPC-UHFFFAOYSA-N ChemAxon polar_surface_area 49.66 ChemAxon refractivity 32.44 ChemAxon polarizability 12.84 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 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::MsIr 1062 Specdb::MsIr 1063 Specdb::MsIr 1064 Specdb::CMs 13812 Specdb::CMs 37919 Specdb::CMs 135583 Specdb::CMs 143317 Specdb::NmrOneD 146370 Specdb::NmrOneD 146371 Specdb::NmrOneD 146372 Specdb::NmrOneD 146373 Specdb::NmrOneD 146374 Specdb::NmrOneD 146375 Specdb::NmrOneD 146376 Specdb::NmrOneD 146377 Specdb::NmrOneD 146378 Specdb::NmrOneD 146379 Specdb::NmrOneD 146380 Specdb::NmrOneD 146381 Specdb::NmrOneD 146382 Specdb::NmrOneD 146383 Specdb::NmrOneD 146384 Specdb::NmrOneD 146385 Specdb::NmrOneD 146386 Specdb::NmrOneD 146387 Specdb::NmrOneD 146388 Specdb::NmrOneD 146389 Specdb::MsMs 296458 Specdb::MsMs 296459 Specdb::MsMs 296460 Specdb::MsMs 337768 Specdb::MsMs 337769 Specdb::MsMs 337770 Specdb::MsMs 2320310 Specdb::MsMs 2320311 Specdb::MsMs 2320312 Specdb::MsMs 2618714 Specdb::MsMs 2618715 Specdb::MsMs 2618716 Brain Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 C04092 FDB022415 1194 1157 30912 35015 5992 Noguchi, Yuichi; Kanda, Kiyoo; Hosoda, Taku; Akiyama, Katsumi. D1-Piperidine-2-carboxylic acid isolation from fermentatin broth. Jpn. Tokkyo Koho (1971), 5 pp.