| Canonical Smiles | CNC(=O)CCCCC(=O)O |
|---|---|
| IUPAC Name | 6-(methylamino)-6-oxohexanoic acid |
| InChIKey | GWSSURYRYDYOGR-UHFFFAOYSA-N |
| INCHI | 1S/C7H13NO3/c1-8-6(9)4-2-3-5-7(10)11/h2-5H2,1H3,(H,8,9)(H,10,11) |
| Molecular Weight | 159.18 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Fatty Acyls |
| Subclass | Fatty acids and conjugates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Medium-chain fatty acids |
| Alternative Parents | Amino fatty acids Straight chain fatty acids N-acyl amines Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Medium-chain fatty acid - Amino fatty acid - Fatty amide - N-acyl-amine - Straight chain fatty acid - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. |
| External Descriptors | Not available |
| Molecular Weight | 159.180 g/mol |
|---|---|
| XLogP3 | -0.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 159.09 Da |
| Monoisotopic Mass | 159.09 Da |
| Topological Polar Surface Area | 66.400 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 145.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
