1.0 2020-04-06 11:46:16 UTC 2025-11-19 03:10:56 UTC FDB111903 Hydroxyprolyl-Tryptophan C16H19N3O4 317.3398 317.137556111 2-[(4-hydroxypyrrolidin-2-yl)formamido]-3-(1H-indol-3-yl)propanoic acid 2-[(4-hydroxypyrrolidin-2-yl)formamido]-3-(1H-indol-3-yl)propanoic acid OC1CNC(C1)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O InChI=1S/C16H19N3O4/c20-10-6-13(18-8-10)15(21)19-14(16(22)23)5-9-7-17-12-4-2-1-3-11(9)12/h1-4,7,10,13-14,17-18,20H,5-6,8H2,(H,19,21)(H,22,23) PMCORMXOLUUGHL-UHFFFAOYSA-N belongs to the class of organic compounds known as peptides. Peptides are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. Peptides Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aromatic heteropolycyclic compounds 1,2-aminoalcohols 3-alkylindoles Amino acids Azacyclic compounds Benzenoids Carbonyl compounds Carboximidic acids Carboxylic acids Dialkylamines Heteroaromatic compounds Hydrocarbon derivatives Indolyl carboxylic acids and derivatives Monocarboxylic acids and derivatives N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Pyrrolidines Secondary alcohols Substituted pyrroles 1,2-aminoalcohol 3-alkylindole Alcohol Alpha peptide Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Aromatic heteropolycyclic compound Azacycle Benzenoid Carbonyl group Carboximidic acid Carboximidic acid derivative Carboxylic acid Heteroaromatic compound Hydrocarbon derivative Indole Indole or derivatives Indolyl carboxylic acid derivative Monocarboxylic acid or derivatives N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound Pyrrole Pyrrolidine Secondary alcohol Secondary aliphatic amine Secondary amine Substituted pyrrole logp -0.95 ALOGPS logs -2.47 ALOGPS solubility 1.07e+00 g/l ALOGPS logp -2.5 ChemAxon pka_strongest_acidic 3.73 ChemAxon pka_strongest_basic 9.12 ChemAxon iupac 2-[(4-hydroxypyrrolidin-2-yl)formamido]-3-(1H-indol-3-yl)propanoic acid ChemAxon average_mass 317.3398 ChemAxon mono_mass 317.137556111 ChemAxon smiles OC1CNC(C1)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O ChemAxon formula C16H19N3O4 ChemAxon inchi InChI=1S/C16H19N3O4/c20-10-6-13(18-8-10)15(21)19-14(16(22)23)5-9-7-17-12-4-2-1-3-11(9)12/h1-4,7,10,13-14,17-18,20H,5-6,8H2,(H,19,21)(H,22,23) ChemAxon inchikey PMCORMXOLUUGHL-UHFFFAOYSA-N ChemAxon polar_surface_area 114.45 ChemAxon refractivity 82.39 ChemAxon polarizability 32.42 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 5 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21926 Specdb::CMs 40928 Specdb::CMs 174550 Specdb::MsMs 314689 Specdb::MsMs 314690 Specdb::MsMs 314691 Specdb::MsMs 360490 Specdb::MsMs 360491 Specdb::MsMs 360492 Specdb::MsMs 2685966 Specdb::MsMs 2685967 Specdb::MsMs 2685968 Specdb::MsMs 2992199 Specdb::MsMs 2992200 Specdb::MsMs 2992201 Specdb::NmrOneD 155570 Specdb::NmrOneD 155571 Specdb::NmrOneD 155572 Specdb::NmrOneD 155573 Specdb::NmrOneD 155574 Specdb::NmrOneD 155575 Specdb::NmrOneD 155576 Specdb::NmrOneD 155577 Specdb::NmrOneD 155578 Specdb::NmrOneD 155579 Specdb::NmrOneD 155580 Specdb::NmrOneD 155581 Specdb::NmrOneD 155582 Specdb::NmrOneD 155583 Specdb::NmrOneD 155584 Specdb::NmrOneD 155585 Specdb::NmrOneD 155586 Specdb::NmrOneD 155587 Specdb::NmrOneD 155588 Specdb::NmrOneD 155589 HMDB0028874 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