1.0 2020-03-03 19:29:22 UTC 2020-04-22 15:55:51 UTC BMDB0063905 BMDB63905 Hydroxyprolyl-Leucine Hydroxyproline leucine dipeptide HP-L Dipeptide HPL Dipeptide Hpro-leu Hydroxyproline-leucine dipeptide Hydroxyprolylleucine L-Hydroxyprolyl-L-leucine 2-{[hydroxy(4-hydroxypyrrolidin-2-yl)methylidene]amino}-4-methylpentanoate C11H20N2O4 244.2875 244.142307138 2-[(4-hydroxypyrrolidin-2-yl)formamido]-4-methylpentanoic acid 2-[(4-hydroxypyrrolidin-2-yl)formamido]-4-methylpentanoic acid CC(C)CC(NC(=O)C1CC(O)CN1)C(O)=O InChI=1S/C11H20N2O4/c1-6(2)3-9(11(16)17)13-10(15)8-4-7(14)5-12-8/h6-9,12,14H,3-5H2,1-2H3,(H,13,15)(H,16,17) LQFJGLSIESIIOM-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 1,2-aminoalcohols Alpha amino acid amides Amino acids Azacyclic compounds Carbonyl compounds Carboxylic acids Dialkylamines Heterocyclic fatty acids Hydrocarbon derivatives Hydroxy fatty acids Leucine and derivatives Methyl-branched fatty acids Monocarboxylic acids and derivatives N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Proline and derivatives Pyrrolidinecarboxamides Secondary alcohols Secondary carboxylic acid amides 1,2-aminoalcohol Alcohol Aliphatic heteromonocyclic compound Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Azacycle Branched fatty acid Carbonyl group Carboxamide group Carboxylic acid Fatty acid Fatty acyl Heterocyclic fatty acid Hydrocarbon derivative Hydroxy fatty acid Leucine or derivatives Methyl-branched fatty acid 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 Proline or derivatives Pyrrolidine Pyrrolidine carboxylic acid or derivatives Pyrrolidine-2-carboxamide Secondary alcohol Secondary aliphatic amine Secondary amine Secondary carboxylic acid amide Aliphatic heteromonocyclic compounds logp -2.49 ALOGPS logs -1.11 ALOGPS logp -3 ChemAxon pka_strongest_acidic 3.76 ChemAxon pka_strongest_basic 9.12 ChemAxon iupac 2-[(4-hydroxypyrrolidin-2-yl)formamido]-4-methylpentanoic acid ChemAxon average_mass 244.2875 ChemAxon mono_mass 244.142307138 ChemAxon smiles CC(C)CC(NC(=O)C1CC(O)CN1)C(O)=O ChemAxon formula C11H20N2O4 ChemAxon inchi InChI=1S/C11H20N2O4/c1-6(2)3-9(11(16)17)13-10(15)8-4-7(14)5-12-8/h6-9,12,14H,3-5H2,1-2H3,(H,13,15)(H,16,17) ChemAxon inchikey LQFJGLSIESIIOM-UHFFFAOYSA-N ChemAxon polar_surface_area 98.66 ChemAxon refractivity 60.35 ChemAxon polarizability 25.29 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 5 ChemAxon donor_count 4 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 13937 Specdb::CMs 40922 Specdb::CMs 162384 Specdb::NmrOneD 13902 Specdb::NmrOneD 13903 Specdb::NmrOneD 13904 Specdb::NmrOneD 13905 Specdb::NmrOneD 13906 Specdb::NmrOneD 13907 Specdb::NmrOneD 13908 Specdb::NmrOneD 13909 Specdb::NmrOneD 13910 Specdb::NmrOneD 13911 Specdb::NmrOneD 13912 Specdb::NmrOneD 13913 Specdb::NmrOneD 13914 Specdb::NmrOneD 13915 Specdb::NmrOneD 13916 Specdb::NmrOneD 13917 Specdb::NmrOneD 13918 Specdb::NmrOneD 13919 Specdb::NmrOneD 13920 Specdb::NmrOneD 13921 Specdb::MsMs 296740 Specdb::MsMs 296741 Specdb::MsMs 296742 Specdb::MsMs 338101 Specdb::MsMs 338102 Specdb::MsMs 338103 Specdb::MsMs 2833695 Specdb::MsMs 2833696 Specdb::MsMs 2833697 Specdb::MsMs 2871236 Specdb::MsMs 2871237 Specdb::MsMs 2871238 FDB111897 21777566 10480082 176441