1.0 2020-04-06 12:17:08 UTC 2025-11-19 03:11:08 UTC FDB112081 Threoninyl-Gamma-glutamate C9H17N3O5 247.2484 247.116820669 2-amino-4-[(2-amino-3-hydroxybutanoyl)carbamoyl]butanoic acid 2-amino-4-[(2-amino-3-hydroxybutanoyl)carbamoyl]butanoic acid CC(O)C(N)C(=O)NC(=O)CCC(N)C(O)=O InChI=1S/C9H17N3O5/c1-4(13)7(11)8(15)12-6(14)3-2-5(10)9(16)17/h4-5,7,13H,2-3,10-11H2,1H3,(H,16,17)(H,12,14,15) BTVBLYICTTUOEJ-UHFFFAOYSA-N belongs to the class of organic compounds known as glutamine and derivatives. Glutamine and derivatives are compounds containing glutamine or a derivative thereof resulting from reaction of glutamine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Glutamine and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic acyclic compounds Alpha amino acid amides Alpha amino acids Amino acids Carbonyl compounds Carboxylic acids Dicarboximides Fatty acids and conjugates Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl amines N-unsubstituted carboxylic acid imides Organic oxides Organopnictogen compounds Secondary alcohols Alcohol Aliphatic acyclic compound Alpha-amino acid Alpha-amino acid amide Amine Amino acid Carbonyl group Carboxylic acid Carboxylic acid imide Carboxylic acid imide, n-unsubstituted Dicarboximide Fatty acid Glutamine or derivatives Hydrocarbon derivative Monocarboxylic acid or derivatives N-acyl-amine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Secondary alcohol logp -3.18 ALOGPS logs -1.17 ALOGPS solubility 1.69e+01 g/l ALOGPS logp -5 ChemAxon pka_strongest_acidic 1.77 ChemAxon pka_strongest_basic 9.41 ChemAxon iupac 2-amino-4-[(2-amino-3-hydroxybutanoyl)carbamoyl]butanoic acid ChemAxon average_mass 247.2484 ChemAxon mono_mass 247.116820669 ChemAxon smiles CC(O)C(N)C(=O)NC(=O)CCC(N)C(O)=O ChemAxon formula C9H17N3O5 ChemAxon inchi InChI=1S/C9H17N3O5/c1-4(13)7(11)8(15)12-6(14)3-2-5(10)9(16)17/h4-5,7,13H,2-3,10-11H2,1H3,(H,16,17)(H,12,14,15) ChemAxon inchikey BTVBLYICTTUOEJ-UHFFFAOYSA-N ChemAxon polar_surface_area 155.74 ChemAxon refractivity 56.49 ChemAxon polarizability 24.05 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10884 Specdb::CMs 41108 Specdb::CMs 148865 Specdb::NmrOneD 156670 Specdb::NmrOneD 156671 Specdb::NmrOneD 156672 Specdb::NmrOneD 156673 Specdb::NmrOneD 156674 Specdb::NmrOneD 156675 Specdb::NmrOneD 156676 Specdb::NmrOneD 156677 Specdb::NmrOneD 156678 Specdb::NmrOneD 156679 Specdb::NmrOneD 156680 Specdb::NmrOneD 156681 Specdb::NmrOneD 156682 Specdb::NmrOneD 156683 Specdb::NmrOneD 156684 Specdb::NmrOneD 156685 Specdb::NmrOneD 156686 Specdb::NmrOneD 156687 Specdb::NmrOneD 156688 Specdb::NmrOneD 156689 Specdb::MsMs 289957 Specdb::MsMs 289958 Specdb::MsMs 289959 Specdb::MsMs 329536 Specdb::MsMs 329537 Specdb::MsMs 329538 Specdb::MsMs 2466695 Specdb::MsMs 2466696 Specdb::MsMs 2466697 Specdb::MsMs 2496305 Specdb::MsMs 2496306 Specdb::MsMs 2496307 HMDB0029075 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