1.0 2020-04-06 11:27:49 UTC 2025-11-19 03:10:44 UTC FDB111796 Asparaginyl-Serine C7H13N3O5 219.1952 219.085520541 2-(2-amino-3-carbamoylpropanamido)-3-hydroxypropanoic acid 2-(2-amino-3-carbamoylpropanamido)-3-hydroxypropanoic acid NC(CC(N)=O)C(=O)NC(CO)C(O)=O InChI=1S/C7H13N3O5/c8-3(1-5(9)12)6(13)10-4(2-11)7(14)15/h3-4,11H,1-2,8H2,(H2,9,12)(H,10,13)(H,14,15) SONUFGRSSMFHFN-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 Asparagine and derivatives Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl amines N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Primary alcohols Primary carboxylic acid amides Secondary carboxylic acid amides Serine and derivatives Alcohol Aliphatic acyclic compound Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Asparagine or derivatives Beta-hydroxy acid Carbonyl group Carboxamide group Carboxylic acid Fatty acyl Fatty amide Hydrocarbon derivative Hydroxy 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 Organonitrogen compound Organooxygen compound Organopnictogen compound Primary alcohol Primary aliphatic amine Primary amine Primary carboxylic acid amide Secondary carboxylic acid amide Serine or derivatives logp -3.48 ALOGPS logs -1.02 ALOGPS solubility 2.11e+01 g/l ALOGPS logp -5.9 ChemAxon pka_strongest_acidic 3.3 ChemAxon pka_strongest_basic 7.35 ChemAxon iupac 2-(2-amino-3-carbamoylpropanamido)-3-hydroxypropanoic acid ChemAxon average_mass 219.1952 ChemAxon mono_mass 219.085520541 ChemAxon smiles NC(CC(N)=O)C(=O)NC(CO)C(O)=O ChemAxon formula C7H13N3O5 ChemAxon inchi InChI=1S/C7H13N3O5/c8-3(1-5(9)12)6(13)10-4(2-11)7(14)15/h3-4,11H,1-2,8H2,(H2,9,12)(H,10,13)(H,14,15) ChemAxon inchikey SONUFGRSSMFHFN-UHFFFAOYSA-N ChemAxon polar_surface_area 155.74 ChemAxon refractivity 47.2 ChemAxon polarizability 20.13 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 6 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26060 Specdb::CMs 40830 Specdb::CMs 163309 Specdb::MsMs 323728 Specdb::MsMs 323729 Specdb::MsMs 323730 Specdb::MsMs 371959 Specdb::MsMs 371960 Specdb::MsMs 371961 Specdb::MsMs 3223060 Specdb::MsMs 3223061 Specdb::MsMs 3223062 Specdb::MsMs 3223063 Specdb::MsMs 3223064 Specdb::MsMs 3223065 Specdb::NmrOneD 13462 Specdb::NmrOneD 13463 Specdb::NmrOneD 13464 Specdb::NmrOneD 13465 Specdb::NmrOneD 13466 Specdb::NmrOneD 13467 Specdb::NmrOneD 13468 Specdb::NmrOneD 13469 Specdb::NmrOneD 13470 Specdb::NmrOneD 13471 Specdb::NmrOneD 13472 Specdb::NmrOneD 13473 Specdb::NmrOneD 13474 Specdb::NmrOneD 13475 Specdb::NmrOneD 13476 Specdb::NmrOneD 13477 Specdb::NmrOneD 13478 Specdb::NmrOneD 13479 Specdb::NmrOneD 13480 Specdb::NmrOneD 13481 HMDB0028740 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