1.0 2010-04-08 22:04:36 UTC 2019-11-26 02:54:57 UTC FDB000538 (±)-4-Methylene-2-pyrrolidinecarboxylic acid Present in loquat seeds (Eriobotrya japonica). (±)-4-Methylene-2-pyrrolidinecarboxylic acid is found in fruits. C6H9NO2 127.1412 127.063328537 4-methylidenepyrrolidine-2-carboxylic acid 4-methylidenepyrrolidine-2-carboxylic acid 2370-38-9 OC(=O)C1CC(=C)CN1 InChI=1S/C6H9NO2/c1-4-2-5(6(8)9)7-3-4/h5,7H,1-3H2,(H,8,9) PEYQZZMUNYLHII-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 acids Dialkylamines Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Pyrrolidine carboxylic acids Aliphatic heteromonocyclic compound Alpha-amino acid Amine Amino acid Azacycle Carbonyl group Carboxylic acid Hydrocarbon derivative Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Proline or derivatives Pyrrolidine Pyrrolidine carboxylic acid Pyrrolidine carboxylic acid or derivatives Secondary aliphatic amine Secondary amine logp -2.22 ALOGPS logs 0.14 ALOGPS solubility 1.77e+02 g/l ALOGPS melting_point Mp 224-245 (225°)° dec. logp -2.5 ChemAxon pka_strongest_acidic 1.96 ChemAxon pka_strongest_basic 10.48 ChemAxon iupac 4-methylidenepyrrolidine-2-carboxylic acid ChemAxon average_mass 127.1412 ChemAxon mono_mass 127.063328537 ChemAxon smiles OC(=O)C1CC(=C)CN1 ChemAxon formula C6H9NO2 ChemAxon inchi InChI=1S/C6H9NO2/c1-4-2-5(6(8)9)7-3-4/h5,7H,1-3H2,(H,8,9) ChemAxon inchikey PEYQZZMUNYLHII-UHFFFAOYSA-N ChemAxon polar_surface_area 49.33 ChemAxon refractivity 32.24 ChemAxon polarizability 12.69 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 3437 Specdb::MsIr 3438 Specdb::MsIr 3439 Specdb::CMs 20823 Specdb::CMs 41354 Specdb::CMs 131880 Specdb::CMs 139614 Specdb::NmrOneD 158350 Specdb::NmrOneD 158351 Specdb::NmrOneD 158352 Specdb::NmrOneD 158353 Specdb::NmrOneD 158354 Specdb::NmrOneD 158355 Specdb::NmrOneD 158356 Specdb::NmrOneD 158357 Specdb::NmrOneD 158358 Specdb::NmrOneD 158359 Specdb::NmrOneD 158360 Specdb::NmrOneD 158361 Specdb::NmrOneD 158362 Specdb::NmrOneD 158363 Specdb::NmrOneD 158364 Specdb::NmrOneD 158365 Specdb::NmrOneD 158366 Specdb::NmrOneD 158367 Specdb::NmrOneD 158368 Specdb::NmrOneD 158369 Specdb::MsMs 97917 Specdb::MsMs 97918 Specdb::MsMs 97919 Specdb::MsMs 162720 Specdb::MsMs 162721 Specdb::MsMs 162722 Specdb::MsMs 2742313 Specdb::MsMs 2742314 Specdb::MsMs 2742315 Specdb::MsMs 2939570 Specdb::MsMs 2939571 Specdb::MsMs 2939572 HMDB29434 #<Reference:0x00005632e2d76b38> Fruits Unknown generic