1.0 2016-09-30 23:19:36 UTC 2020-04-22 15:16:39 UTC BMDB0006009 BMDB06009 Isoputreanine 4-((3-Aminopropyl)amino)-butanoate 4-((3-Aminopropyl)amino)-butanoic acid IPu N-(3-Aminopropyl)-4-aminobutanoate N-(3-Aminopropyl)-4-aminobutanoic acid N-(3-Aminopropyl)-4-aminobutyrate N-(3-Aminopropyl)-4-aminobutyric acid N-(4-Carboxybutyl)-1,3-diaminopropane N-(4-Carboxybutyl)-1,3-propanediamine Isoputreanine dihydrochloride 4-[(3-Aminopropyl)amino]butanoate Isoputreanine C7H16N2O2 160.2141 160.121177766 4-[(3-aminopropyl)amino]butanoic acid 4-[(3-aminopropyl)amino]butanoic acid 66165-33-1 NCCCNCCCC(O)=O InChI=1S/C7H16N2O2/c8-4-2-6-9-5-1-3-7(10)11/h9H,1-6,8H2,(H,10,11) JUBNBYBUFCFLHB-UHFFFAOYSA-N belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Gamma amino acids and derivatives Amino acids Amino fatty acids Carbonyl compounds Carboxylic acids Dialkylamines Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Straight chain fatty acids Aliphatic acyclic compound Amine Amino acid Amino fatty acid Carbonyl group Carboxylic acid Fatty acid Fatty acyl Gamma amino acid or derivatives Hydrocarbon derivative Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Secondary aliphatic amine Secondary amine Straight chain fatty acid Aliphatic acyclic compounds Solid logp -2.63 ALOGPS logs -1.13 ALOGPS logp -3.4 ChemAxon pka_strongest_acidic 4.61 ChemAxon pka_strongest_basic 10.84 ChemAxon iupac 4-[(3-aminopropyl)amino]butanoic acid ChemAxon average_mass 160.2141 ChemAxon mono_mass 160.121177766 ChemAxon smiles NCCCNCCCC(O)=O ChemAxon formula C7H16N2O2 ChemAxon inchi InChI=1S/C7H16N2O2/c8-4-2-6-9-5-1-3-7(10)11/h9H,1-6,8H2,(H,10,11) ChemAxon inchikey JUBNBYBUFCFLHB-UHFFFAOYSA-N ChemAxon polar_surface_area 75.35 ChemAxon refractivity 43.05 ChemAxon polarizability 18.33 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 4 ChemAxon donor_count 3 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::MsIr 2335 Specdb::MsIr 2336 Specdb::MsIr 2337 Specdb::CMs 26620 Specdb::CMs 38932 Specdb::CMs 146338 Specdb::MsMs 325021 Specdb::MsMs 325022 Specdb::MsMs 325023 Specdb::MsMs 373573 Specdb::MsMs 373574 Specdb::MsMs 373575 Specdb::MsMs 2712245 Specdb::MsMs 2712246 Specdb::MsMs 2712247 Specdb::MsMs 2996978 Specdb::MsMs 2996979 Specdb::MsMs 2996980 Specdb::NmrOneD 61412 Specdb::NmrOneD 61413 Specdb::NmrOneD 61414 Specdb::NmrOneD 61415 Specdb::NmrOneD 61416 Specdb::NmrOneD 61417 Specdb::NmrOneD 61418 Specdb::NmrOneD 61419 Specdb::NmrOneD 61420 Specdb::NmrOneD 61421 Specdb::NmrOneD 61422 Specdb::NmrOneD 61423 Specdb::NmrOneD 61424 Specdb::NmrOneD 61425 Specdb::NmrOneD 61426 Specdb::NmrOneD 61427 Specdb::NmrOneD 61428 Specdb::NmrOneD 61429 Specdb::NmrOneD 61430 Specdb::NmrOneD 61431 FDB023800 150153 171763