1.0 2020-03-03 19:29:05 UTC 2020-04-22 15:55:49 UTC BMDB0063900 BMDB63900 Hydroxyprolyl-Glutamine Hydroxyproline glutamine dipeptide HP-Q Dipeptide HPQ Dipeptide Hpro-GLN Hydroxyproline-glutamine dipeptide Hydroxyprolylglutamine L-Hydroxyprolyl-L-glutamine 2-{[hydroxy(4-hydroxypyrrolidin-2-yl)methylidene]amino}-4-(C-hydroxycarbonimidoyl)butanoate C10H17N3O5 259.2591 259.116820669 4-carbamoyl-2-[(4-hydroxypyrrolidin-2-yl)formamido]butanoic acid 4-carbamoyl-2-[(4-hydroxypyrrolidin-2-yl)formamido]butanoic acid NC(=O)CCC(NC(=O)C1CC(O)CN1)C(O)=O InChI=1S/C10H17N3O5/c11-8(15)2-1-6(10(17)18)13-9(16)7-3-5(14)4-12-7/h5-7,12,14H,1-4H2,(H2,11,15)(H,13,16)(H,17,18) BCLVLAZXTOULCD-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 Amino acids Azacyclic compounds Carbonyl compounds Carboximidic acids Carboxylic acids Dialkylamines Heterocyclic fatty acids Hydrocarbon derivatives Hydroxy fatty acids 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 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 Fatty acid Fatty acyl Heterocyclic fatty acid Hydrocarbon derivative Hydroxy fatty acid 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 -3.34 ALOGPS logs -1.32 ALOGPS logp -5.4 ChemAxon pka_strongest_acidic 3.45 ChemAxon pka_strongest_basic 9.12 ChemAxon iupac 4-carbamoyl-2-[(4-hydroxypyrrolidin-2-yl)formamido]butanoic acid ChemAxon average_mass 259.2591 ChemAxon mono_mass 259.116820669 ChemAxon smiles NC(=O)CCC(NC(=O)C1CC(O)CN1)C(O)=O ChemAxon formula C10H17N3O5 ChemAxon inchi InChI=1S/C10H17N3O5/c11-8(15)2-1-6(10(17)18)13-9(16)7-3-5(14)4-12-7/h5-7,12,14H,1-4H2,(H2,11,15)(H,13,16)(H,17,18) ChemAxon inchikey BCLVLAZXTOULCD-UHFFFAOYSA-N ChemAxon polar_surface_area 141.75 ChemAxon refractivity 59.29 ChemAxon polarizability 25 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 6 ChemAxon donor_count 5 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 10854 Specdb::CMs 40918 Specdb::CMs 166640 Specdb::MsMs 289897 Specdb::MsMs 289898 Specdb::MsMs 289899 Specdb::MsMs 329458 Specdb::MsMs 329459 Specdb::MsMs 329460 Specdb::MsMs 2362640 Specdb::MsMs 2362641 Specdb::MsMs 2362642 Specdb::MsMs 2600459 Specdb::MsMs 2600460 Specdb::MsMs 2600461 Specdb::NmrOneD 155450 Specdb::NmrOneD 155451 Specdb::NmrOneD 155452 Specdb::NmrOneD 155453 Specdb::NmrOneD 155454 Specdb::NmrOneD 155455 Specdb::NmrOneD 155456 Specdb::NmrOneD 155457 Specdb::NmrOneD 155458 Specdb::NmrOneD 155459 Specdb::NmrOneD 155460 Specdb::NmrOneD 155461 Specdb::NmrOneD 155462 Specdb::NmrOneD 155463 Specdb::NmrOneD 155464 Specdb::NmrOneD 155465 Specdb::NmrOneD 155466 Specdb::NmrOneD 155467 Specdb::NmrOneD 155468 Specdb::NmrOneD 155469 FDB111892 61157217 35032801 169683