1.0 2016-10-03 18:33:40 UTC 2020-04-22 15:48:53 UTC BMDB0012176 BMDB12176 5-Aminopentanamide 5-Aminovaleramide 5-Aminovaleric acid amide 5-Aminovalerate amide C5H12N2O 116.1616 116.094963016 5-aminopentanamide aminopentamide 13023-70-6 NCCCCC(N)=O InChI=1S/C5H12N2O/c6-4-2-1-3-5(7)8/h1-4,6H2,(H2,7,8) OTIAVLWNTIXJDO-UHFFFAOYSA-N belongs to the class of organic compounds known as delta amino acids and derivatives. Delta amino acids and derivatives are compounds containing a carboxylic acid group and an amino group at the C5 carbon atom. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Delta amino acids and derivatives Carbonyl compounds Fatty amides Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds Primary carboxylic acid amides Aliphatic acyclic compound Amine Carbonyl group Carboxamide group Delta amino acid or derivatives Fatty acyl Fatty amide Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Primary carboxylic acid amide Aliphatic acyclic compounds fatty amide Solid logp -2.00 ALOGPS logs 0.08 ALOGPS logp -0.98 ChemAxon pka_strongest_acidic 16.94 ChemAxon pka_strongest_basic 9.91 ChemAxon iupac 5-aminopentanamide ChemAxon average_mass 116.1616 ChemAxon mono_mass 116.094963016 ChemAxon smiles NCCCCC(N)=O ChemAxon formula C5H12N2O ChemAxon inchi InChI=1S/C5H12N2O/c6-4-2-1-3-5(7)8/h1-4,6H2,(H2,7,8) ChemAxon inchikey OTIAVLWNTIXJDO-UHFFFAOYSA-N ChemAxon polar_surface_area 69.11 ChemAxon refractivity 31.88 ChemAxon polarizability 13.03 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 18593 Specdb::CMs 156055 Specdb::MsIr 2685 Specdb::MsIr 2686 Specdb::MsIr 2687 Specdb::MsMs 307261 Specdb::MsMs 307262 Specdb::MsMs 307263 Specdb::MsMs 351163 Specdb::MsMs 351164 Specdb::MsMs 351165 Specdb::MsMs 2377966 Specdb::MsMs 2377967 Specdb::MsMs 2377968 Specdb::MsMs 2557020 Specdb::MsMs 2557021 Specdb::MsMs 2557022 Specdb::NmrOneD 95638 Specdb::NmrOneD 95639 Specdb::NmrOneD 95640 Specdb::NmrOneD 95641 Specdb::NmrOneD 95642 Specdb::NmrOneD 95643 Specdb::NmrOneD 95644 Specdb::NmrOneD 95645 Specdb::NmrOneD 95646 Specdb::NmrOneD 95647 Specdb::NmrOneD 95648 Specdb::NmrOneD 95649 Specdb::NmrOneD 95650 Specdb::NmrOneD 95651 Specdb::NmrOneD 95652 Specdb::NmrOneD 95653 Specdb::NmrOneD 95654 Specdb::NmrOneD 95655 Specdb::NmrOneD 95656 Specdb::NmrOneD 95657 FDB028830 C00990 388481 18120 439358 5-AMINOPENTANAMIDE