1.0 2018-07-17 17:21:58 UTC 2020-03-13 17:34:54 UTC BMDB0062240 BMDB62240 Histidinyl-Proline Histidinyl-proline, also known as H-p dipeptide or his-pro, 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. Histidinyl-proline is possibly soluble (in water) and a very strong basic compound (based on its pKa). 1-[2-Amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carboxylate H-P Dipeptide His-pro Histidine proline dipeptide Histidine-proline dipeptide Histidinylproline HP Dipeptide L-Histidinyl-L-proline Histidylproline C11H16N4O3 252.2697 252.122240398 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carboxylic acid 1-[2-amino-3-(3H-imidazol-4-yl)propanoyl]pyrrolidine-2-carboxylic acid NC(CC1=CN=CN1)C(=O)N1CCCC1C(O)=O InChI=1S/C11H16N4O3/c12-8(4-7-5-13-6-14-7)10(16)15-3-1-2-9(15)11(17)18/h5-6,8-9H,1-4,12H2,(H,13,14)(H,17,18) LNCFUHAPNTYMJB-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. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Dipeptides Alanine and derivatives Alpha amino acid amides Amino acids Azacyclic compounds Carbonyl compounds Carboxylic acids Heteroaromatic compounds Histidine and derivatives Hydrocarbon derivatives Imidazolyl carboxylic acids and derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Secondary carboxylic acid amides Alanine or derivatives Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Aromatic heteromonocyclic compound Azacycle Azole Carbonyl group Carboxamide group Carboxylic acid Heteroaromatic compound Histidine or derivatives Hydrocarbon derivative Imidazole Imidazolyl carboxylic acid derivative Monocarboxylic acid or derivatives N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Secondary carboxylic acid amide Aromatic heteromonocyclic compounds Solid logp -3.88 Extrapolated logp -2.66 ALOGPS logs -1.09 ALOGPS logp -3.6 ChemAxon pka_strongest_acidic 3.41 ChemAxon pka_strongest_basic 8.02 ChemAxon iupac 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carboxylic acid ChemAxon average_mass 252.2697 ChemAxon mono_mass 252.122240398 ChemAxon smiles NC(CC1=CN=CN1)C(=O)N1CCCC1C(O)=O ChemAxon formula C11H16N4O3 ChemAxon inchi InChI=1S/C11H16N4O3/c12-8(4-7-5-13-6-14-7)10(16)15-3-1-2-9(15)11(17)18/h5-6,8-9H,1-4,12H2,(H,13,14)(H,17,18) ChemAxon inchikey LNCFUHAPNTYMJB-UHFFFAOYSA-N ChemAxon polar_surface_area 112.31 ChemAxon refractivity 63.05 ChemAxon polarizability 24.51 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 12430 Specdb::CMs 40946 Specdb::MsMs 293359 Specdb::MsMs 293360 Specdb::MsMs 293361 Specdb::MsMs 333820 Specdb::MsMs 333821 Specdb::MsMs 333822 Specdb::MsMs 3610582 Specdb::MsMs 3610583 Specdb::MsMs 3610584 Specdb::MsMs 3610585 Specdb::MsMs 3610586 Specdb::MsMs 3610587 Milk By UPLC-Q-TOF Pan L, Yu J, Mi Z, Mo L, Jin H, Yao C, Ren D, Menghe B: A Metabolomics Approach Uncovers Differences between Traditional and Commercial Dairy Products in Buryatia (Russian Federation). Molecules. 2018 Mar 22;23(4). pii: molecules23040735. doi: 10.3390/molecules23040735. 29565828 FDB098206 10608298 14324830 Pan L, Yu J, Mi Z, Mo L, Jin H, Yao C, Ren D, Menghe B: A Metabolomics Approach Uncovers Differences between Traditional and Commercial Dairy Products in Buryatia (Russian Federation). Molecules. 2018 Mar 22;23(4). pii: molecules23040735. doi: 10.3390/molecules23040735. 29565828