1.0 2020-03-10 17:00:42 UTC 2020-04-22 18:55:52 UTC BMDB0096070 BMDB96070 Tridecanoylglycine Acylglycine c:13 C15H29NO3 271.3957 271.214743799 2-tridecanamidoacetic acid tridecanamidoacetic acid CCCCCCCCCCCCC(=O)NCC(O)=O InChI=1S/C15H29NO3/c1-2-3-4-5-6-7-8-9-10-11-12-14(17)16-13-15(18)19/h2-13H2,1H3,(H,16,17)(H,18,19) BTHNNPTZHGZNAO-UHFFFAOYSA-N belongs to the class of organic compounds known as n-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues N-acyl-alpha amino acids Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives N-acyl amines Organic oxides Organonitrogen compounds Organopnictogen compounds Secondary carboxylic acid amides Aliphatic acyclic compound Carbonyl group Carboxamide group Carboxylic acid Fatty acyl Fatty amide Hydrocarbon derivative Monocarboxylic acid or derivatives N-acyl-alpha-amino acid N-acyl-amine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary carboxylic acid amide Aliphatic acyclic compounds N-acylglycine fatty amide logp 4.56 ALOGPS logs -4.48 ALOGPS logp 3.82 ChemAxon pka_strongest_acidic 4.05 ChemAxon pka_strongest_basic -1.7 ChemAxon iupac 2-tridecanamidoacetic acid ChemAxon average_mass 271.3957 ChemAxon mono_mass 271.214743799 ChemAxon smiles CCCCCCCCCCCCC(=O)NCC(O)=O ChemAxon formula C15H29NO3 ChemAxon inchi InChI=1S/C15H29NO3/c1-2-3-4-5-6-7-8-9-10-11-12-14(17)16-13-15(18)19/h2-13H2,1H3,(H,16,17)(H,18,19) ChemAxon inchikey BTHNNPTZHGZNAO-UHFFFAOYSA-N ChemAxon polar_surface_area 66.4 ChemAxon refractivity 76.08 ChemAxon polarizability 33.43 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 3 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::MsMs 295660 Specdb::MsMs 295661 Specdb::MsMs 295662 Specdb::MsMs 336727 Specdb::MsMs 336728 Specdb::MsMs 336729 Specdb::MsMs 2843927 Specdb::MsMs 2843928 Specdb::MsMs 2843929 Specdb::MsMs 2861605 Specdb::MsMs 2861606 Specdb::MsMs 2861607 Specdb::CMs 13461 Specdb::CMs 40116 Specdb::CMs 136461 Specdb::CMs 144195 FDB029379 74437 45357453 21513291