1.0 2020-04-06 11:24:00 UTC 2020-04-06 23:43:21 UTC FDB111774 Arginylproline C11H21N5O3 271.321 271.164439556 (2S)-1-[(2S)-2-amino-5-carbamimidamidopentanoyl]pyrrolidine-2-carboxylic acid (2S)-1-[(2S)-2-amino-5-carbamimidamidopentanoyl]pyrrolidine-2-carboxylic acid N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(O)=O InChI=1S/C11H21N5O3/c12-7(3-1-5-15-11(13)14)9(17)16-6-2-4-8(16)10(18)19/h7-8H,1-6,12H2,(H,18,19)(H4,13,14,15)/t7-,8-/m0/s1 LQJAALCCPOTJGB-YUMQZZPRSA-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 heteromonocyclic compounds Alpha amino acid amides Amino acids Azacyclic compounds Carbonyl compounds Carboximidamides Carboxylic acids Guanidines Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl-L-alpha-amino acids N-acylpyrrolidines Organic oxides Organopnictogen compounds Proline and derivatives Propargyl-type 1,3-dipolar organic compounds Pyrrolidine carboxylic acids Tertiary carboxylic acid amides Aliphatic heteromonocyclic compound Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Azacycle Carbonyl group Carboxamide group Carboximidamide Carboxylic acid Guanidine Hydrocarbon derivative Monocarboxylic acid or derivatives N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-l-alpha-amino acid N-acylpyrrolidine Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Proline or derivatives Propargyl-type 1,3-dipolar organic compound Pyrrolidine Pyrrolidine carboxylic acid Pyrrolidine carboxylic acid or derivatives Tertiary carboxylic acid amide logp -3.47 ALOGPS logs -2.40 ALOGPS solubility 1.09e+00 g/l ALOGPS logp -3.4 ChemAxon pka_strongest_acidic 3.64 ChemAxon pka_strongest_basic 12.02 ChemAxon iupac (2S)-1-[(2S)-2-amino-5-carbamimidamidopentanoyl]pyrrolidine-2-carboxylic acid ChemAxon average_mass 271.321 ChemAxon mono_mass 271.164439556 ChemAxon smiles N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(O)=O ChemAxon formula C11H21N5O3 ChemAxon inchi InChI=1S/C11H21N5O3/c12-7(3-1-5-15-11(13)14)9(17)16-6-2-4-8(16)10(18)19/h7-8H,1-6,12H2,(H,18,19)(H4,13,14,15)/t7-,8-/m0/s1 ChemAxon inchikey LQJAALCCPOTJGB-YUMQZZPRSA-N ChemAxon polar_surface_area 145.53 ChemAxon refractivity 78.91 ChemAxon polarizability 28.16 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 157384 Specdb::MsMs 1291186 Specdb::MsMs 1291187 Specdb::MsMs 1291188 Specdb::MsMs 1405888 Specdb::MsMs 1405889 Specdb::MsMs 1405890 Specdb::MsMs 3222931 Specdb::MsMs 3222932 Specdb::MsMs 3222933 Specdb::MsMs 3222934 Specdb::MsMs 3222935 Specdb::MsMs 3222936 Specdb::NmrOneD 154370 Specdb::NmrOneD 154371 Specdb::NmrOneD 154372 Specdb::NmrOneD 154373 Specdb::NmrOneD 154374 Specdb::NmrOneD 154375 Specdb::NmrOneD 154376 Specdb::NmrOneD 154377 Specdb::NmrOneD 154378 Specdb::NmrOneD 154379 Specdb::NmrOneD 154380 Specdb::NmrOneD 154381 Specdb::NmrOneD 154382 Specdb::NmrOneD 154383 Specdb::NmrOneD 154384 Specdb::NmrOneD 154385 Specdb::NmrOneD 154386 Specdb::NmrOneD 154387 Specdb::NmrOneD 154388 Specdb::NmrOneD 154389 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