1.0 2010-04-08 22:10:55 UTC 2015-07-20 23:02:40 UTC FDB013813 2-Carboxy-1-[5-(2-carboxy-1-pyrrolidinyl)-2-hydroxy-2,4-pentadienylidene]pyrrolidinium Maillard product from reaction of L-proline and 2-Furancarboxaldehyde <ht>FTR29-Z</ht> 5-(2-Carboxy-1-pyrrolidinyl)-2-hydroxy-2,4-pentadienal (2-carboxypyrrolidine)imine C15H20N2O5 308.3297 308.13722176 (1E)-2-carboxy-1-[(2E,4E)-5-(2-carboxylatopyrrolidin-1-yl)-4-hydroxypenta-2,4-dien-1-ylidene]-1λ⁵-pyrrolidin-1-ylium (1E)-2-carboxy-1-[(2E,4E)-5-(2-carboxylatopyrrolidin-1-yl)-4-hydroxypenta-2,4-dien-1-ylidene]-1λ⁵-pyrrolidin-1-ylium 214150-43-3 OC(=O)C1CCC\[N+]1=C/C=C/C(/O)=C\N1CCCC1C([O-])=O InChI=1S/C15H20N2O5/c18-11(10-17-9-3-6-13(17)15(21)22)4-1-7-16-8-2-5-12(16)14(19)20/h1,4,7,10,12-13H,2-3,5-6,8-9H2,(H2-,18,19,20,21,22) DJTFHMOANYEGKP-UHFFFAOYSA-N belongs to the class of organic compounds known as proline and derivatives. Proline and derivatives are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Proline and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic heteromonocyclic compounds Alpha amino acids Amino acids Azacyclic compounds Carbonyl compounds Carboxylic acid salts Carboxylic acids Dicarboxylic acids and derivatives Enamines Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Pyrrolidine carboxylic acids Shiff bases Trialkylamines Aliphatic heteromonocyclic compound Alpha-amino acid Amine Amino acid Azacycle Carbonyl group Carboxylic acid Carboxylic acid salt Dicarboxylic acid or derivatives Enamine Hydrocarbon derivative Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organic zwitterion Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Proline or derivatives Propargyl-type 1,3-dipolar organic compound Pyrrolidine Pyrrolidine carboxylic acid Pyrrolidine carboxylic acid or derivatives Shiff base Tertiary aliphatic amine Tertiary amine logp -0.24 ALOGPS logs -2.85 ALOGPS solubility 5.15e-01 g/l ALOGPS logp -5.2 ChemAxon pka_strongest_acidic 2.01 ChemAxon pka_strongest_basic 6.73 ChemAxon iupac (1E)-2-carboxy-1-[(2E,4E)-5-(2-carboxylatopyrrolidin-1-yl)-4-hydroxypenta-2,4-dien-1-ylidene]-1λ⁵-pyrrolidin-1-ylium ChemAxon average_mass 308.3297 ChemAxon mono_mass 308.13722176 ChemAxon smiles OC(=O)C1CCC\[N+]1=C/C=C/C(/O)=C\N1CCCC1C([O-])=O ChemAxon formula C15H20N2O5 ChemAxon inchi InChI=1S/C15H20N2O5/c18-11(10-17-9-3-6-13(17)15(21)22)4-1-7-16-8-2-5-12(16)14(19)20/h1,4,7,10,12-13H,2-3,5-6,8-9H2,(H2-,18,19,20,21,22) ChemAxon inchikey DJTFHMOANYEGKP-UHFFFAOYSA-N ChemAxon polar_surface_area 103.91 ChemAxon refractivity 102.93 ChemAxon polarizability 31.26 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23829 Specdb::CMs 44232 Specdb::CMs 146918 Specdb::NmrOneD 130338 Specdb::NmrOneD 130339 Specdb::NmrOneD 130340 Specdb::NmrOneD 130341 Specdb::NmrOneD 130342 Specdb::NmrOneD 130343 Specdb::NmrOneD 130344 Specdb::NmrOneD 130345 Specdb::NmrOneD 130346 Specdb::NmrOneD 130347 Specdb::NmrOneD 130348 Specdb::NmrOneD 130349 Specdb::NmrOneD 130350 Specdb::NmrOneD 130351 Specdb::NmrOneD 130352 Specdb::NmrOneD 130353 Specdb::NmrOneD 130354 Specdb::NmrOneD 130355 Specdb::NmrOneD 130356 Specdb::NmrOneD 130357 Specdb::MsMs 91533 Specdb::MsMs 91534 Specdb::MsMs 91535 Specdb::MsMs 154938 Specdb::MsMs 154939 Specdb::MsMs 154940 Specdb::MsMs 2376794 Specdb::MsMs 2376795 Specdb::MsMs 2376796 Specdb::MsMs 2562741 Specdb::MsMs 2562742 Specdb::MsMs 2562743 HMDB35173 #<Reference:0x000055ce305a79a0>