1.0 2020-03-03 19:31:40 UTC 2020-04-22 15:56:06 UTC BMDB0063945 BMDB63945 Isoleucylhydroxyproline Isoleucine hydroxyproline dipeptide I-HP dipeptide IHP dipeptide Ile-hpro Isoleucine-hydroxyproline dipeptide L-Isoleucyl-L-hydroxyproline (4R)-L-Isoleucyl-4-hydroxy-L-proline Ile-hyp Isoleucyl-hydroxyproline L-Ile-L-hyp (2S,4R)-1-[(2S,3S)-2-Amino-3-methylpentanoyl]-4-hydroxypyrrolidine-2-carboxylate Isoleucylhydroxyproline C11H20N2O4 244.291 244.142307132 (2S,4R)-1-[(2S,3S)-2-amino-3-methylpentanoyl]-4-hydroxypyrrolidine-2-carboxylic acid (2S,4R)-1-[(2S,3S)-2-amino-3-methylpentanoyl]-4-hydroxypyrrolidine-2-carboxylic acid 90965-80-3 CC[C@H](C)[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(O)=O InChI=1S/C11H20N2O4/c1-3-6(2)9(12)10(15)13-5-7(14)4-8(13)11(16)17/h6-9,14H,3-5,12H2,1-2H3,(H,16,17)/t6-,7+,8-,9-/m0/s1 IFZSZULHIWFRSB-KZVJFYERSA-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 Isoleucine 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 Isoleucine 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 -2.17 ALOGPS logs -0.62 ALOGPS logp -2.9 ChemAxon pka_strongest_acidic 3.75 ChemAxon pka_strongest_basic 8.5 ChemAxon iupac (2S,4R)-1-[(2S,3S)-2-amino-3-methylpentanoyl]-4-hydroxypyrrolidine-2-carboxylic acid ChemAxon average_mass 244.291 ChemAxon mono_mass 244.142307132 ChemAxon smiles CC[C@H](C)[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(O)=O ChemAxon formula C11H20N2O4 ChemAxon inchi InChI=1S/C11H20N2O4/c1-3-6(2)9(12)10(15)13-5-7(14)4-8(13)11(16)17/h6-9,14H,3-5,12H2,1-2H3,(H,16,17)/t6-,7+,8-,9-/m0/s1 ChemAxon inchikey IFZSZULHIWFRSB-KZVJFYERSA-N ChemAxon polar_surface_area 103.86 ChemAxon refractivity 60.4 ChemAxon polarizability 25.29 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 3036044 Specdb::MsMs 3036045 Specdb::MsMs 3036046 Specdb::MsMs 3103823 Specdb::MsMs 3103824 Specdb::MsMs 3103825 Specdb::CMs 166870 Specdb::NmrOneD 106138 Specdb::NmrOneD 106139 Specdb::NmrOneD 106140 Specdb::NmrOneD 106141 Specdb::NmrOneD 106142 Specdb::NmrOneD 106143 Specdb::NmrOneD 106144 Specdb::NmrOneD 106145 Specdb::NmrOneD 106146 Specdb::NmrOneD 106147 Specdb::NmrOneD 106148 Specdb::NmrOneD 106149 Specdb::NmrOneD 106150 Specdb::NmrOneD 106151 Specdb::NmrOneD 106152 Specdb::NmrOneD 106153 Specdb::NmrOneD 106154 Specdb::NmrOneD 106155 Specdb::NmrOneD 106156 Specdb::NmrOneD 106157 FDB111937 43627825 25227053