| Sonrisas canónicas | C1=CC=C(C=C1)C(=O)CC(C(=O)O)N |
|---|---|
| IUPAC Name | 2-amino-4-oxo-4-phenylbutanoic acid |
| InChIKey | QXRCVKLRAOSZCP-UHFFFAOYSA-N |
| INCHI | 1S/C10H11NO3/c11-8(10(13)14)6-9(12)7-4-2-1-3-5-7/h1-5,8H,6,11H2,(H,13,14) |
| Peso molecular | 193.200 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Clase | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Butyrophenones Alpha amino acids Gamma-keto acids and derivatives Benzoyl derivatives Aryl alkyl ketones Beta-amino ketones Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alkyl-phenylketone - Butyrophenone - Alpha-amino acid - Alpha-amino acid or derivatives - Benzoyl - Gamma-keto acid - Aryl alkyl ketone - Benzenoid - Monocyclic benzene moiety - Keto acid - Beta-aminoketone - Amino acid - Amino acid or derivatives - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Primary amine - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Primary aliphatic amine - Organonitrogen compound - Amine - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. |
| External Descriptors | Not available |
| Peso molecular | 193.200 g/mol |
|---|---|
| XLogP3 | -2.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 193.074 Da |
| Monoisotopic Mass | 193.074 Da |
| Topological Polar Surface Area | 80.400 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 221.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
