1.0 2020-04-06 12:08:18 UTC 2020-04-06 23:43:22 UTC FDB112030 Prolyl-Glutamine C10H17N3O4 243.2597 243.121906047 4-carbamoyl-2-[(pyrrolidin-2-yl)formamido]butanoic acid 4-carbamoyl-2-(pyrrolidin-2-ylformamido)butanoic acid NC(=O)CCC(NC(=O)C1CCCN1)C(O)=O InChI=1S/C10H17N3O4/c11-8(14)4-3-7(10(16)17)13-9(15)6-2-1-5-12-6/h6-7,12H,1-5H2,(H2,11,14)(H,13,15)(H,16,17) SHAQGFGGJSLLHE-UHFFFAOYSA-N belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Dipeptides Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic heteromonocyclic compounds Alpha amino acid amides Amino acids Azacyclic compounds Carbonyl compounds Carboxylic acids Dialkylamines Fatty amides Glutamine and derivatives Heterocyclic fatty acids Hydrocarbon derivatives Monocarboxylic acids and derivatives N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Primary carboxylic acid amides Proline and derivatives Pyrrolidinecarboxamides Secondary carboxylic acid amides Aliphatic heteromonocyclic compound Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Azacycle Carbonyl group Carboxamide group Carboxylic acid Fatty acid Fatty acyl Fatty amide Glutamine or derivatives Heterocyclic fatty acid Hydrocarbon derivative Monocarboxylic acid or derivatives N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary carboxylic acid amide Proline or derivatives Pyrrolidine Pyrrolidine carboxylic acid or derivatives Pyrrolidine-2-carboxamide Secondary aliphatic amine Secondary amine Secondary carboxylic acid amide logp -2.90 ALOGPS logs -1.70 ALOGPS solubility 4.91e+00 g/l ALOGPS logp -4.3 ChemAxon pka_strongest_acidic 3.58 ChemAxon pka_strongest_basic 9.81 ChemAxon iupac 4-carbamoyl-2-[(pyrrolidin-2-yl)formamido]butanoic acid ChemAxon average_mass 243.2597 ChemAxon mono_mass 243.121906047 ChemAxon smiles NC(=O)CCC(NC(=O)C1CCCN1)C(O)=O ChemAxon formula C10H17N3O4 ChemAxon inchi InChI=1S/C10H17N3O4/c11-8(14)4-3-7(10(16)17)13-9(15)6-2-1-5-12-6/h6-7,12H,1-5H2,(H2,11,14)(H,13,15)(H,16,17) ChemAxon inchikey SHAQGFGGJSLLHE-UHFFFAOYSA-N ChemAxon polar_surface_area 121.52 ChemAxon refractivity 57.97 ChemAxon polarizability 24.27 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 307729 Specdb::MsMs 307730 Specdb::MsMs 307731 Specdb::MsMs 351745 Specdb::MsMs 351746 Specdb::MsMs 351747 Specdb::MsMs 2302839 Specdb::MsMs 2302840 Specdb::MsMs 2302841 Specdb::MsMs 3066728 Specdb::MsMs 3066729 Specdb::MsMs 3066730 Specdb::CMs 18782 Specdb::CMs 41056 Specdb::CMs 161498 Specdb::NmrOneD 156410 Specdb::NmrOneD 156411 Specdb::NmrOneD 156412 Specdb::NmrOneD 156413 Specdb::NmrOneD 156414 Specdb::NmrOneD 156415 Specdb::NmrOneD 156416 Specdb::NmrOneD 156417 Specdb::NmrOneD 156418 Specdb::NmrOneD 156419 Specdb::NmrOneD 156420 Specdb::NmrOneD 156421 Specdb::NmrOneD 156422 Specdb::NmrOneD 156423 Specdb::NmrOneD 156424 Specdb::NmrOneD 156425 Specdb::NmrOneD 156426 Specdb::NmrOneD 156427 Specdb::NmrOneD 156428 Specdb::NmrOneD 156429 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823