1.0 2020-03-03 19:32:50 UTC 2020-04-22 15:56:14 UTC BMDB0063965 BMDB63965 Leucylhydroxyproline Leucine hydroxyproline dipeptide L-HP Dipeptide L-Leucyl-L-hydroxyproline Leu-hpro Leucine-hydroxyproline dipeptide LHP Dipeptide Leu-hyp L-Leu-L-hyp Leucyl-hydroxyproline (4R)-L-Leucyl-4-hydroxy-L-proline (2S,4R)-1-[(2S)-2-Amino-4-methylpentanoyl]-4-hydroxypyrrolidine-2-carboxylate Leucylhydroxyproline C11H20N2O4 244.291 244.142307132 (2S,4R)-1-[(2S)-2-amino-4-methylpentanoyl]-4-hydroxypyrrolidine-2-carboxylic acid (2S,4R)-1-[(2S)-2-amino-4-methylpentanoyl]-4-hydroxypyrrolidine-2-carboxylic acid 63912-01-6 CC(C)C[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(O)=O InChI=1S/C11H20N2O4/c1-6(2)3-8(12)10(15)13-5-7(14)4-9(13)11(16)17/h6-9,14H,3-5,12H2,1-2H3,(H,16,17)/t7-,8+,9+/m1/s1 JCCZCUUYYHWRGX-VGMNWLOBSA-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 Proline and derivatives Pyrrolidine carboxylic acids Secondary alcohols Tertiary carboxylic acid amides Alcohol 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 Primary aliphatic amine Primary amine Proline or derivatives Pyrrolidine Pyrrolidine carboxylic acid Pyrrolidine carboxylic acid or derivatives Secondary alcohol Tertiary carboxylic acid amide Aliphatic heteromonocyclic compounds logp -2.33 ALOGPS logs -0.73 ALOGPS logp -3 ChemAxon pka_strongest_acidic 3.75 ChemAxon pka_strongest_basic 8.43 ChemAxon iupac (2S,4R)-1-[(2S)-2-amino-4-methylpentanoyl]-4-hydroxypyrrolidine-2-carboxylic acid ChemAxon average_mass 244.291 ChemAxon mono_mass 244.142307132 ChemAxon smiles CC(C)C[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(O)=O ChemAxon formula C11H20N2O4 ChemAxon inchi InChI=1S/C11H20N2O4/c1-6(2)3-8(12)10(15)13-5-7(14)4-9(13)11(16)17/h6-9,14H,3-5,12H2,1-2H3,(H,16,17)/t7-,8+,9+/m1/s1 ChemAxon inchikey JCCZCUUYYHWRGX-VGMNWLOBSA-N ChemAxon polar_surface_area 103.86 ChemAxon refractivity 60.48 ChemAxon polarizability 25.34 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 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 2760743 Specdb::MsMs 2760744 Specdb::MsMs 2760745 Specdb::MsMs 2944878 Specdb::MsMs 2944879 Specdb::MsMs 2944880 Specdb::CMs 166797 Specdb::NmrOneD 14182 Specdb::NmrOneD 14183 Specdb::NmrOneD 14184 Specdb::NmrOneD 14185 Specdb::NmrOneD 14186 Specdb::NmrOneD 14187 Specdb::NmrOneD 14188 Specdb::NmrOneD 14189 Specdb::NmrOneD 14190 Specdb::NmrOneD 14191 Specdb::NmrOneD 14192 Specdb::NmrOneD 14193 Specdb::NmrOneD 14194 Specdb::NmrOneD 14195 Specdb::NmrOneD 14196 Specdb::NmrOneD 14197 Specdb::NmrOneD 14198 Specdb::NmrOneD 14199 Specdb::NmrOneD 14200 Specdb::NmrOneD 14201 FDB111957 25050183 25227057 188969