1.0 2018-07-17 17:23:05 UTC 2020-04-22 15:51:45 UTC BMDB0062253 BMDB62253 Methionyl-Proline Methionyl-proline, also known as m-p dipeptide or met-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. Methionyl-proline is possibly soluble (in water) and a very strong basic compound (based on its pKa). L-Methionyl-L-proline m-p Dipeptide Met-pro Methionine proline dipeptide Methionine-proline dipeptide Methionylproline MP Dipeptide 1-[2-Amino-4-(methylsulfanyl)butanoyl]pyrrolidine-2-carboxylate 1-[2-Amino-4-(methylsulphanyl)butanoyl]pyrrolidine-2-carboxylate 1-[2-Amino-4-(methylsulphanyl)butanoyl]pyrrolidine-2-carboxylic acid C10H18N2O3S 246.327 246.103813142 1-[2-amino-4-(methylsulfanyl)butanoyl]pyrrolidine-2-carboxylic acid met-pro CSCCC(N)C(=O)N1CCCC1C(O)=O InChI=1S/C10H18N2O3S/c1-16-6-4-7(11)9(13)12-5-2-3-8(12)10(14)15/h7-8H,2-6,11H2,1H3,(H,14,15) DZMGFGQBRYWJOR-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 Alpha amino acid amides Amino acids Azacyclic compounds Carbonyl compounds Carboxylic acids Dialkylthioethers Hydrocarbon derivatives Methionine and derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl-alpha amino acids N-acylpyrrolidines Organic oxides Organopnictogen compounds Proline and derivatives Pyrrolidine carboxylic acids Sulfenyl compounds 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 Carboxylic acid Dialkylthioether Hydrocarbon derivative Methionine or derivatives Monocarboxylic acid or derivatives N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acylpyrrolidine Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Primary aliphatic amine Primary amine Proline or derivatives Pyrrolidine Pyrrolidine carboxylic acid Pyrrolidine carboxylic acid or derivatives Sulfenyl compound Tertiary carboxylic acid amide Thioether Aliphatic heteromonocyclic compounds Solid logp -2.45 Extrapolated logp -0.55 ALOGPS logs -1.29 ALOGPS logp -2.5 ChemAxon pka_strongest_acidic 3.78 ChemAxon pka_strongest_basic 8.41 ChemAxon iupac 1-[2-amino-4-(methylsulfanyl)butanoyl]pyrrolidine-2-carboxylic acid ChemAxon average_mass 246.327 ChemAxon mono_mass 246.103813142 ChemAxon smiles CSCCC(N)C(=O)N1CCCC1C(O)=O ChemAxon formula C10H18N2O3S ChemAxon inchi InChI=1S/C10H18N2O3S/c1-16-6-4-7(11)9(13)12-5-2-3-8(12)10(14)15/h7-8H,2-6,11H2,1H3,(H,14,15) ChemAxon inchikey DZMGFGQBRYWJOR-UHFFFAOYSA-N ChemAxon polar_surface_area 83.63 ChemAxon refractivity 62.57 ChemAxon polarizability 25.69 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 300055 Specdb::MsMs 300056 Specdb::MsMs 300057 Specdb::MsMs 342238 Specdb::MsMs 342239 Specdb::MsMs 342240 Specdb::MsMs 2782834 Specdb::MsMs 2782835 Specdb::MsMs 2782836 Specdb::MsMs 2926453 Specdb::MsMs 2926454 Specdb::MsMs 2926455 Specdb::CMs 15359 Specdb::CMs 41027 Specdb::CMs 170570 Specdb::NmrOneD 106778 Specdb::NmrOneD 106779 Specdb::NmrOneD 106780 Specdb::NmrOneD 106781 Specdb::NmrOneD 106782 Specdb::NmrOneD 106783 Specdb::NmrOneD 106784 Specdb::NmrOneD 106785 Specdb::NmrOneD 106786 Specdb::NmrOneD 106787 Specdb::NmrOneD 106788 Specdb::NmrOneD 106789 Specdb::NmrOneD 106790 Specdb::NmrOneD 106791 Specdb::NmrOneD 106792 Specdb::NmrOneD 106793 Specdb::NmrOneD 106794 Specdb::NmrOneD 106795 Specdb::NmrOneD 106796 Specdb::NmrOneD 106797 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 FDB098219 2713800 3472451 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