1.0 2020-03-03 19:28:51 UTC 2020-04-22 15:55:48 UTC BMDB0063896 BMDB63896 Hydroxyprolyl-Alanine Hydroxyproline alanine dipeptide HP-a Dipeptide HPA dipeptide Hpro-ala Hydroxyproline-alanine dipeptide Hydroxyprolylalanine L-Hydroxyprolyl-L-alanine 2-{[hydroxy(4-hydroxypyrrolidin-2-yl)methylidene]amino}propanoate C8H14N2O4 202.2078 202.095356946 2-[(4-hydroxypyrrolidin-2-yl)formamido]propanoic acid 2-[(4-hydroxypyrrolidin-2-yl)formamido]propanoic acid CC(NC(=O)C1CC(O)CN1)C(O)=O InChI=1S/C8H14N2O4/c1-4(8(13)14)10-7(12)6-2-5(11)3-9-6/h4-6,9,11H,2-3H2,1H3,(H,10,12)(H,13,14) PHMGRHJWVYZMPA-UHFFFAOYSA-N belongs to the class of organic compounds known as peptides. Peptides are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Peptides 1,2-aminoalcohols Alanine and derivatives Amino acids Azacyclic compounds Carbonyl compounds Carboximidic acids Carboxylic acids Dialkylamines Hydrocarbon derivatives Monocarboxylic acids and derivatives N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Pyrrolidines Secondary alcohols 1,2-aminoalcohol Alanine or derivatives Alcohol Aliphatic heteromonocyclic compound Alpha peptide Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Azacycle Carbonyl group Carboximidic acid Carboximidic acid derivative Carboxylic acid Hydrocarbon derivative Monocarboxylic acid or derivatives N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound Pyrrolidine Secondary alcohol Secondary aliphatic amine Secondary amine Aliphatic heteromonocyclic compounds logp -3.25 ALOGPS logs -0.94 ALOGPS logp -4.3 ChemAxon pka_strongest_acidic 3.53 ChemAxon pka_strongest_basic 9.12 ChemAxon iupac 2-[(4-hydroxypyrrolidin-2-yl)formamido]propanoic acid ChemAxon average_mass 202.2078 ChemAxon mono_mass 202.095356946 ChemAxon smiles CC(NC(=O)C1CC(O)CN1)C(O)=O ChemAxon formula C8H14N2O4 ChemAxon inchi InChI=1S/C8H14N2O4/c1-4(8(13)14)10-7(12)6-2-5(11)3-9-6/h4-6,9,11H,2-3H2,1H3,(H,10,12)(H,13,14) ChemAxon inchikey PHMGRHJWVYZMPA-UHFFFAOYSA-N ChemAxon polar_surface_area 98.66 ChemAxon refractivity 46.68 ChemAxon polarizability 19.88 ChemAxon rotatable_bond_count 3 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::MsMs 297934 Specdb::MsMs 297935 Specdb::MsMs 297936 Specdb::MsMs 339589 Specdb::MsMs 339590 Specdb::MsMs 339591 Specdb::MsMs 2363048 Specdb::MsMs 2363049 Specdb::MsMs 2363050 Specdb::MsMs 2602481 Specdb::MsMs 2602482 Specdb::MsMs 2602483 Specdb::CMs 14464 Specdb::CMs 40914 Specdb::CMs 170371 Specdb::NmrOneD 105858 Specdb::NmrOneD 105859 Specdb::NmrOneD 105860 Specdb::NmrOneD 105861 Specdb::NmrOneD 105862 Specdb::NmrOneD 105863 Specdb::NmrOneD 105864 Specdb::NmrOneD 105865 Specdb::NmrOneD 105866 Specdb::NmrOneD 105867 Specdb::NmrOneD 105868 Specdb::NmrOneD 105869 Specdb::NmrOneD 105870 Specdb::NmrOneD 105871 Specdb::NmrOneD 105872 Specdb::NmrOneD 105873 Specdb::NmrOneD 105874 Specdb::NmrOneD 105875 Specdb::NmrOneD 105876 Specdb::NmrOneD 105877 FDB111888 35032797 61156985