1.0 2020-04-06 12:04:10 UTC 2025-11-19 03:11:05 UTC FDB112006 Methionyl-Valine C10H20N2O3S 248.342 248.119463206 2-[2-amino-4-(methylsulfanyl)butanamido]-3-methylbutanoic acid met-val CSCCC(N)C(=O)NC(C(C)C)C(O)=O InChI=1S/C10H20N2O3S/c1-6(2)8(10(14)15)12-9(13)7(11)4-5-16-3/h6-8H,4-5,11H2,1-3H3,(H,12,13)(H,14,15) BJFJQOMZCSHBMY-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 acyclic compounds Alpha amino acid amides Amino acids Carbonyl compounds Carboxylic acid salts Carboxylic acids Dialkylthioethers Hydrocarbon derivatives Methionine and derivatives Methyl-branched fatty acids Monoalkylamines Monocarboxylic acids and derivatives N-acyl amines N-acyl-alpha amino acids Organic oxides Organic salts Organic zwitterions Organopnictogen compounds Secondary carboxylic acid amides Sulfenyl compounds Valine and derivatives Aliphatic acyclic compound Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Branched fatty acid Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid salt Dialkylthioether Fatty acid Fatty acyl Fatty amide Hydrocarbon derivative Methionine or derivatives Methyl-branched fatty acid Monocarboxylic acid or derivatives N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-amine Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organic zwitterion Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Primary aliphatic amine Primary amine Secondary carboxylic acid amide Sulfenyl compound Thioether Valine or derivatives logp -0.68 ALOGPS logs -1.94 ALOGPS solubility 2.86e+00 g/l ALOGPS logp -1.8 ChemAxon pka_strongest_acidic 3.92 ChemAxon pka_strongest_basic 8.42 ChemAxon iupac 2-[2-amino-4-(methylsulfanyl)butanamido]-3-methylbutanoic acid ChemAxon average_mass 248.342 ChemAxon mono_mass 248.119463206 ChemAxon smiles CSCCC(N)C(=O)NC(C(C)C)C(O)=O ChemAxon formula C10H20N2O3S ChemAxon inchi InChI=1S/C10H20N2O3S/c1-6(2)8(10(14)15)12-9(13)7(11)4-5-16-3/h6-8H,4-5,11H2,1-3H3,(H,12,13)(H,14,15) ChemAxon inchikey BJFJQOMZCSHBMY-UHFFFAOYSA-N ChemAxon polar_surface_area 92.42 ChemAxon refractivity 63.88 ChemAxon polarizability 26.7 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25404 Specdb::CMs 41032 Specdb::CMs 146293 Specdb::NmrOneD 106878 Specdb::NmrOneD 106879 Specdb::NmrOneD 106880 Specdb::NmrOneD 106881 Specdb::NmrOneD 106882 Specdb::NmrOneD 106883 Specdb::NmrOneD 106884 Specdb::NmrOneD 106885 Specdb::NmrOneD 106886 Specdb::NmrOneD 106887 Specdb::NmrOneD 106888 Specdb::NmrOneD 106889 Specdb::NmrOneD 106890 Specdb::NmrOneD 106891 Specdb::NmrOneD 106892 Specdb::NmrOneD 106893 Specdb::NmrOneD 106894 Specdb::NmrOneD 106895 Specdb::NmrOneD 106896 Specdb::NmrOneD 106897 Specdb::MsMs 322255 Specdb::MsMs 322256 Specdb::MsMs 322257 Specdb::MsMs 370111 Specdb::MsMs 370112 Specdb::MsMs 370113 Specdb::MsMs 2776004 Specdb::MsMs 2776005 Specdb::MsMs 2776006 Specdb::MsMs 2906142 Specdb::MsMs 2906143 Specdb::MsMs 2906144 HMDB0028986 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