1.0 2016-05-19 02:40:15 UTC 2026-08-20 01:10:42 UTC Traseolide SmallMolecule Traseolide is an organic compound with the chemical formula C5H9NO4 and an average molecular weight of 147.13 g/mol. Traseolide belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. In industrial applications, the compound is utilized as a fragrance. The substance has been identified in seven recorded sources. Within the category of electrical and electronic equipment, it is found in antennas, discharge lamps, and radio transmission systems. It is also associated with food, food processing, and cookware, specifically in the treatment of hops and the preparation of wort. Additionally, it has been detected in drinking water and within indoor air, dust, and atmospheric transport. Recorded exposure routes for traseolide include inhalation and oral ingestion. ATII (Traseolide) C5H9NO4 147.13 147.053157774 2-amino-3-methylbutanedioic acid 2-amino-3-methylsuccinic acid 68140-48-7 CC(C(N)C(O)=O)C(O)=O InChI=1S/C5H9NO4/c1-2(4(7)8)3(6)5(9)10/h2-3H,6H2,1H3,(H,7,8)(H,9,10) LXRUAYBIUSUULX-UHFFFAOYSA-N Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Alpha amino acids Amino acids Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Hydrocarbon derivatives Methyl-branched fatty acids Monoalkylamines Organic oxides Organopnictogen compounds Aliphatic acyclic compound Alpha-amino acid Amine Amino acid Branched fatty acid Carbonyl group Carboxylic acid Dicarboxylic acid or derivatives Fatty acid Fatty acyl Hydrocarbon derivative Methyl-branched fatty acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Aliphatic acyclic compounds alpha-amino acid Detected and Not Quantified logp 5.1 logp -3.30 ALOGPS logs -0.18 ALOGPS solubility 9.74e+01 g/l ALOGPS logp -3 ChemAxon pka_strongest_acidic 1.87 ChemAxon pka_strongest_basic 9.68 ChemAxon iupac 2-amino-3-methylbutanedioic acid ChemAxon average_mass 147.13 ChemAxon mono_mass 147.053157774 ChemAxon smiles CC(C(N)C(O)=O)C(O)=O ChemAxon formula C5H9NO4 ChemAxon inchi InChI=1S/C5H9NO4/c1-2(4(7)8)3(6)5(9)10/h2-3H,6H2,1H3,(H,7,8)(H,9,10) ChemAxon inchikey LXRUAYBIUSUULX-UHFFFAOYSA-N ChemAxon polar_surface_area 100.62 ChemAxon refractivity 31.11 ChemAxon polarizability 13.19 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bf318d360> 91696 82799