1.0 2020-03-03 19:43:00 UTC 2020-04-22 15:57:19 UTC BMDB0064138 BMDB64138 Valylhydroxyproline Valine hydroxyproline dipeptide L-Valyl-L-hydroxyproline V-HP Dipeptide Val-hpro Valine-hydroxyproline dipeptide VHP Dipeptide Val-hyp L-Val-L-hyp Valyl-hydroxyproline (2S,4R)-1-[(2S)-2-Amino-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxylate Valylhydroxyproline C10H18N2O4 230.264 230.126657068 (2S,4R)-1-[(2S)-2-amino-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid (2S,4R)-1-[(2S)-2-amino-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid 90965-79-0 CC(C)[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(O)=O InChI=1S/C10H18N2O4/c1-5(2)8(11)9(14)12-4-6(13)3-7(12)10(15)16/h5-8,13H,3-4,11H2,1-2H3,(H,15,16)/t6-,7+,8+/m1/s1 IMOKOCYUKGZZAG-CSMHCCOUSA-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 Monoalkylamines Monocarboxylic acids and derivatives N-acyl-L-alpha-amino acids N-acylpyrrolidines Organic oxides Organopnictogen compounds Proline and derivatives Pyrrolidine carboxylic acids Secondary alcohols Tertiary carboxylic acid amides Valine and derivatives 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 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 Secondary alcohol Tertiary carboxylic acid amide Valine or derivatives Aliphatic heteromonocyclic compounds logp -2.60 ALOGPS logs -0.54 ALOGPS logp -3.4 ChemAxon pka_strongest_acidic 3.69 ChemAxon pka_strongest_basic 8.51 ChemAxon iupac (2S,4R)-1-[(2S)-2-amino-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid ChemAxon average_mass 230.264 ChemAxon mono_mass 230.126657068 ChemAxon smiles CC(C)[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(O)=O ChemAxon formula C10H18N2O4 ChemAxon inchi InChI=1S/C10H18N2O4/c1-5(2)8(11)9(14)12-4-6(13)3-7(12)10(15)16/h5-8,13H,3-4,11H2,1-2H3,(H,15,16)/t6-,7+,8+/m1/s1 ChemAxon inchikey IMOKOCYUKGZZAG-CSMHCCOUSA-N ChemAxon polar_surface_area 103.86 ChemAxon refractivity 55.8 ChemAxon polarizability 23.24 ChemAxon rotatable_bond_count 3 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::CMs 136670 Specdb::CMs 144404 Specdb::MsMs 2445664 Specdb::MsMs 2445665 Specdb::MsMs 2445666 Specdb::MsMs 2517111 Specdb::MsMs 2517112 Specdb::MsMs 2517113 Specdb::NmrOneD 156930 Specdb::NmrOneD 156931 Specdb::NmrOneD 156932 Specdb::NmrOneD 156933 Specdb::NmrOneD 156934 Specdb::NmrOneD 156935 Specdb::NmrOneD 156936 Specdb::NmrOneD 156937 Specdb::NmrOneD 156938 Specdb::NmrOneD 156939 Specdb::NmrOneD 156940 Specdb::NmrOneD 156941 Specdb::NmrOneD 156942 Specdb::NmrOneD 156943 Specdb::NmrOneD 156944 Specdb::NmrOneD 156945 Specdb::NmrOneD 156946 Specdb::NmrOneD 156947 Specdb::NmrOneD 156948 Specdb::NmrOneD 156949 FDB112130 43627771 63842322