1.0 2020-04-06 11:45:04 UTC 2025-11-19 03:10:55 UTC FDB111896 Hydroxyprolyl-Isoleucine C11H20N2O4 244.2875 244.142307138 2-[(4-hydroxypyrrolidin-2-yl)formamido]-3-methylpentanoic acid 2-[(4-hydroxypyrrolidin-2-yl)formamido]-3-methylpentanoic acid CCC(C)C(NC(=O)C1CC(O)CN1)C(O)=O InChI=1S/C11H20N2O4/c1-3-6(2)9(11(16)17)13-10(15)8-4-7(14)5-12-8/h6-9,12,14H,3-5H2,1-2H3,(H,13,15)(H,16,17) JKCPTRCNCMWJJG-UHFFFAOYSA-N belongs to the class of organic compounds known as peptides. Peptides are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. Peptides Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic heteromonocyclic compounds 1,2-aminoalcohols Amino acids Azacyclic compounds Carbonyl compounds Carboximidic acids Carboxylic acids Dialkylamines Dicarboxylic acids and derivatives Glutamic acid and derivatives Heterocyclic fatty acids Hydrocarbon derivatives Hydroxy fatty acids N-acyl-alpha amino acids Organic oxides Propargyl-type 1,3-dipolar organic compounds Pyrrolidines Secondary alcohols 1,2-aminoalcohol Alcohol Aliphatic heteromonocyclic compound Alpha peptide Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Azacycle Carbonyl group Carboximidic acid Carboximidic acid derivative Carboxylic acid Dicarboxylic acid or derivatives Fatty acid Fatty acyl Glutamic acid or derivatives Heterocyclic fatty acid Hydrocarbon derivative Hydroxy fatty acid N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Propargyl-type 1,3-dipolar organic compound Pyrrolidine Secondary alcohol Secondary aliphatic amine Secondary amine logp -2.36 ALOGPS logs -1.00 ALOGPS solubility 2.45e+01 g/l ALOGPS logp -2.9 ChemAxon pka_strongest_acidic 3.75 ChemAxon pka_strongest_basic 9.12 ChemAxon iupac 2-[(4-hydroxypyrrolidin-2-yl)formamido]-3-methylpentanoic acid ChemAxon average_mass 244.2875 ChemAxon mono_mass 244.142307138 ChemAxon smiles CCC(C)C(NC(=O)C1CC(O)CN1)C(O)=O ChemAxon formula C11H20N2O4 ChemAxon inchi InChI=1S/C11H20N2O4/c1-3-6(2)9(11(16)17)13-10(15)8-4-7(14)5-12-8/h6-9,12,14H,3-5H2,1-2H3,(H,13,15)(H,16,17) ChemAxon inchikey JKCPTRCNCMWJJG-UHFFFAOYSA-N ChemAxon polar_surface_area 98.66 ChemAxon refractivity 60.28 ChemAxon polarizability 25.4 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24748 Specdb::CMs 40921 Specdb::CMs 151222 Specdb::NmrOneD 13882 Specdb::NmrOneD 13883 Specdb::NmrOneD 13884 Specdb::NmrOneD 13885 Specdb::NmrOneD 13886 Specdb::NmrOneD 13887 Specdb::NmrOneD 13888 Specdb::NmrOneD 13889 Specdb::NmrOneD 13890 Specdb::NmrOneD 13891 Specdb::NmrOneD 13892 Specdb::NmrOneD 13893 Specdb::NmrOneD 13894 Specdb::NmrOneD 13895 Specdb::NmrOneD 13896 Specdb::NmrOneD 13897 Specdb::NmrOneD 13898 Specdb::NmrOneD 13899 Specdb::NmrOneD 13900 Specdb::NmrOneD 13901 Specdb::MsMs 320782 Specdb::MsMs 320783 Specdb::MsMs 320784 Specdb::MsMs 368248 Specdb::MsMs 368249 Specdb::MsMs 368250 Specdb::MsMs 2342385 Specdb::MsMs 2342386 Specdb::MsMs 2342387 Specdb::MsMs 2593723 Specdb::MsMs 2593724 Specdb::MsMs 2593725 HMDB0028866 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