1.0 2016-10-03 18:14:07 UTC 2020-04-22 15:43:06 UTC BMDB0011175 BMDB11175 L-leucyl-L-proline Leucylproline 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. Leucylproline is possibly soluble (in water) and a very strong basic compound (based on its pKa). L-Leu-L-pro L-P LP 1-L-Leucyl-L-proline L-Leucyl-L-proline L-p Dipeptide LP Dipeptide Leu-pro Leucine proline dipeptide Leucine-proline dipeptide Leucyl-proline Leucylproline C11H20N2O3 228.292 228.147392512 (2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carboxylic acid (2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carboxylic acid 6403-35-6 CC(C)C[C@H](N)C(=O)N1CCC[C@H]1C(O)=O InChI=1S/C11H20N2O3/c1-7(2)6-8(12)10(14)13-5-3-4-9(13)11(15)16/h7-9H,3-6,12H2,1-2H3,(H,15,16)/t8-,9-/m0/s1 VTJUNIYRYIAIHF-IUCAKERBSA-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 Hydrocarbon derivatives Leucine and derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl-L-alpha-amino acids N-acylpyrrolidines Organic oxides Organopnictogen compounds Proline and derivatives 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 Carboxylic acid Hydrocarbon derivative Leucine or derivatives 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 nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Proline or derivatives Pyrrolidine Pyrrolidine carboxylic acid Pyrrolidine carboxylic acid or derivatives Tertiary carboxylic acid amide Aliphatic heteromonocyclic compounds dipeptide Solid logp -0.78 ALOGPS logs -0.71 ALOGPS logp -1.9 ChemAxon pka_strongest_acidic 3.92 ChemAxon pka_strongest_basic 8.43 ChemAxon iupac (2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carboxylic acid ChemAxon average_mass 228.292 ChemAxon mono_mass 228.147392512 ChemAxon smiles CC(C)C[C@H](N)C(=O)N1CCC[C@H]1C(O)=O ChemAxon formula C11H20N2O3 ChemAxon inchi InChI=1S/C11H20N2O3/c1-7(2)6-8(12)10(14)13-5-3-4-9(13)11(15)16/h7-9H,3-6,12H2,1-2H3,(H,15,16)/t8-,9-/m0/s1 ChemAxon inchikey VTJUNIYRYIAIHF-IUCAKERBSA-N ChemAxon polar_surface_area 83.63 ChemAxon refractivity 59.16 ChemAxon polarizability 24.34 ChemAxon rotatable_bond_count 4 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::CMs 161256 Specdb::MsMs 1264333 Specdb::MsMs 1264334 Specdb::MsMs 1264335 Specdb::MsMs 1379413 Specdb::MsMs 1379414 Specdb::MsMs 1379415 Specdb::MsMs 3048839 Specdb::MsMs 3048840 Specdb::MsMs 3048841 Specdb::MsMs 3118684 Specdb::MsMs 3118685 Specdb::MsMs 3118686 Specdb::NmrOneD 93172 Specdb::NmrOneD 93173 Specdb::NmrOneD 93174 Specdb::NmrOneD 93175 Specdb::NmrOneD 93176 Specdb::NmrOneD 93177 Specdb::NmrOneD 93178 Specdb::NmrOneD 93179 Specdb::NmrOneD 93180 Specdb::NmrOneD 93181 Specdb::NmrOneD 93182 Specdb::NmrOneD 93183 Specdb::NmrOneD 93184 Specdb::NmrOneD 93185 Specdb::NmrOneD 93186 Specdb::NmrOneD 93187 Specdb::NmrOneD 93188 Specdb::NmrOneD 93189 Specdb::NmrOneD 93190 Specdb::NmrOneD 93191 Milk Fermented milk, by capillary electrophoresis-TOFMS Hagi T, Kobayashi M, Nomura M: Metabolome analysis of milk fermented by gamma-aminobutyric acid-producing Lactococcus lactis. J Dairy Sci. 2016 Feb;99(2):994-1001. doi: 10.3168/jds.2015-9945. Epub 2015 Dec 10. 26686724 Milk Commercial whole milk with 3.25% fat Mung D, Li L: Applying quantitative metabolomics based on chemical isotope labeling LC-MS for detecting potential milk adulterant in human milk. Anal Chim Acta. 2018 Feb 25;1001:78-85. doi: 10.1016/j.aca.2017.11.019. Epub 2017 Nov 14. 29291809 Milk Commercial milk, by CIL LC-MS Mung D, Li L: Development of Chemical Isotope Labeling LC-MS for Milk Metabolomics: Comprehensive and Quantitative Profiling of the Amine/Phenol Submetabolome. Anal Chem. 2017 Apr 18;89(8):4435-4443. doi: 10.1021/acs.analchem.6b03737. Epub 2017 Mar 28. 28306241 FDB027947 72971 80817 73580 Hagi T, Kobayashi M, Nomura M: Metabolome analysis of milk fermented by gamma-aminobutyric acid-producing Lactococcus lactis. J Dairy Sci. 2016 Feb;99(2):994-1001. doi: 10.3168/jds.2015-9945. Epub 2015 Dec 10. 26686724 Mung D, Li L: Development of Chemical Isotope Labeling LC-MS for Milk Metabolomics: Comprehensive and Quantitative Profiling of the Amine/Phenol Submetabolome. Anal Chem. 2017 Apr 18;89(8):4435-4443. doi: 10.1021/acs.analchem.6b03737. Epub 2017 Mar 28. 28306241 Mung D, Li L: Applying quantitative metabolomics based on chemical isotope labeling LC-MS for detecting potential milk adulterant in human milk. Anal Chim Acta. 2018 Feb 25;1001:78-85. doi: 10.1016/j.aca.2017.11.019. Epub 2017 Nov 14. 29291809