1.0 2020-04-06 11:45:35 UTC 2025-11-19 03:10:55 UTC FDB111899 Hydroxyprolyl-Methionine C10H18N2O4S 262.326 262.098727764 2-[(4-hydroxypyrrolidin-2-yl)formamido]-4-(methylsulfanyl)butanoic acid 2-[(4-hydroxypyrrolidin-2-yl)formamido]-4-(methylsulfanyl)butanoic acid CSCCC(NC(=O)C1CC(O)CN1)C(O)=O InChI=1S/C10H18N2O4S/c1-17-3-2-7(10(15)16)12-9(14)8-4-6(13)5-11-8/h6-8,11,13H,2-5H2,1H3,(H,12,14)(H,15,16) XTTZAXBOUXWPAU-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 Dialkylthioethers Heterocyclic fatty acids Hydrocarbon derivatives Hydroxy fatty acids Monocarboxylic acids and derivatives N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Pyrrolidines Secondary alcohols Sulfenyl compounds Thia fatty acids 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 Dialkylthioether Fatty acid Fatty acyl Heterocyclic fatty acid Hydrocarbon derivative Hydroxy fatty acid Monocarboxylic acid or derivatives 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 Organopnictogen compound Organosulfur compound Propargyl-type 1,3-dipolar organic compound Pyrrolidine Secondary alcohol Secondary aliphatic amine Secondary amine Sulfenyl compound Thia fatty acid Thioether logp -1.88 ALOGPS logs -1.70 ALOGPS solubility 5.26e+00 g/l ALOGPS logp -3.6 ChemAxon pka_strongest_acidic 3.63 ChemAxon pka_strongest_basic 9.12 ChemAxon iupac 2-[(4-hydroxypyrrolidin-2-yl)formamido]-4-(methylsulfanyl)butanoic acid ChemAxon average_mass 262.326 ChemAxon mono_mass 262.098727764 ChemAxon smiles CSCCC(NC(=O)C1CC(O)CN1)C(O)=O ChemAxon formula C10H18N2O4S ChemAxon inchi InChI=1S/C10H18N2O4S/c1-17-3-2-7(10(15)16)12-9(14)8-4-6(13)5-11-8/h6-8,11,13H,2-5H2,1H3,(H,12,14)(H,15,16) ChemAxon inchikey XTTZAXBOUXWPAU-UHFFFAOYSA-N ChemAxon polar_surface_area 98.66 ChemAxon refractivity 63.77 ChemAxon polarizability 26.68 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11173 Specdb::CMs 40924 Specdb::CMs 172079 Specdb::MsMs 290653 Specdb::MsMs 290654 Specdb::MsMs 290655 Specdb::MsMs 330370 Specdb::MsMs 330371 Specdb::MsMs 330372 Specdb::MsMs 2468155 Specdb::MsMs 2468156 Specdb::MsMs 2468157 Specdb::MsMs 2497514 Specdb::MsMs 2497515 Specdb::MsMs 2497516 Specdb::NmrOneD 105918 Specdb::NmrOneD 105919 Specdb::NmrOneD 105920 Specdb::NmrOneD 105921 Specdb::NmrOneD 105922 Specdb::NmrOneD 105923 Specdb::NmrOneD 105924 Specdb::NmrOneD 105925 Specdb::NmrOneD 105926 Specdb::NmrOneD 105927 Specdb::NmrOneD 105928 Specdb::NmrOneD 105929 Specdb::NmrOneD 105930 Specdb::NmrOneD 105931 Specdb::NmrOneD 105932 Specdb::NmrOneD 105933 Specdb::NmrOneD 105934 Specdb::NmrOneD 105935 Specdb::NmrOneD 105936 Specdb::NmrOneD 105937 HMDB0028869 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