1.0 2020-04-06 11:35:12 UTC 2020-04-06 23:43:21 UTC FDB111839 Glutaminylalanine C8H15N3O4 217.225 217.106255975 (2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]propanoic acid (2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]propanoic acid C[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(O)=O InChI=1S/C8H15N3O4/c1-4(8(14)15)11-7(13)5(9)2-3-6(10)12/h4-5H,2-3,9H2,1H3,(H2,10,12)(H,11,13)(H,14,15)/t4-,5-/m0/s1 FAQVCWVVIYYWRR-WHFBIAKZSA-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 Alanine and derivatives Alpha amino acid amides Amino acids Carbonyl compounds Carboxylic acids Glutamine and derivatives Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl amines N-acyl-L-alpha-amino acids Organic oxides Primary carboxylic acid amides Secondary carboxylic acid amides Alanine or derivatives Aliphatic acyclic compound Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Carbonyl group Carboxamide group Carboxylic acid Fatty acyl Fatty amide Glutamine or derivatives Hydrocarbon derivative Monocarboxylic acid or derivatives N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-amine N-acyl-l-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Primary aliphatic amine Primary amine Primary carboxylic acid amide Secondary carboxylic acid amide logp -3.14 ALOGPS logs -1.25 ALOGPS solubility 1.24e+01 g/l ALOGPS logp -4.5 ChemAxon pka_strongest_acidic 3.58 ChemAxon pka_strongest_basic 8.23 ChemAxon iupac (2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]propanoic acid ChemAxon average_mass 217.225 ChemAxon mono_mass 217.106255975 ChemAxon smiles C[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(O)=O ChemAxon formula C8H15N3O4 ChemAxon inchi InChI=1S/C8H15N3O4/c1-4(8(14)15)11-7(13)5(9)2-3-6(10)12/h4-5H,2-3,9H2,1H3,(H2,10,12)(H,11,13)(H,14,15)/t4-,5-/m0/s1 ChemAxon inchikey FAQVCWVVIYYWRR-WHFBIAKZSA-N ChemAxon polar_surface_area 135.51 ChemAxon refractivity 50.41 ChemAxon polarizability 21.24 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 131647 Specdb::CMs 139381 Specdb::NmrOneD 155010 Specdb::NmrOneD 155011 Specdb::NmrOneD 155012 Specdb::NmrOneD 155013 Specdb::NmrOneD 155014 Specdb::NmrOneD 155015 Specdb::NmrOneD 155016 Specdb::NmrOneD 155017 Specdb::NmrOneD 155018 Specdb::NmrOneD 155019 Specdb::NmrOneD 155020 Specdb::NmrOneD 155021 Specdb::NmrOneD 155022 Specdb::NmrOneD 155023 Specdb::NmrOneD 155024 Specdb::NmrOneD 155025 Specdb::NmrOneD 155026 Specdb::NmrOneD 155027 Specdb::NmrOneD 155028 Specdb::NmrOneD 155029 Specdb::MsMs 1295101 Specdb::MsMs 1295102 Specdb::MsMs 1295103 Specdb::MsMs 1409764 Specdb::MsMs 1409765 Specdb::MsMs 1409766 Specdb::MsMs 3223366 Specdb::MsMs 3223367 Specdb::MsMs 3223368 Specdb::MsMs 3223369 Specdb::MsMs 3223370 Specdb::MsMs 3223371 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