| Sonrisas canónicas | C1=CC=C(C=C1)CNC(CCC(=O)O)C(=O)O |
|---|---|
| IUPAC Name | (2S)-2-(benzylamino)pentanedioic acid |
| InChIKey | IHSNQUNHINYDDN-JTQLQIEISA-N |
| INCHI | 1S/C12H15NO4/c14-11(15)7-6-10(12(16)17)13-8-9-4-2-1-3-5-9/h1-5,10,13H,6-8H2,(H,14,15)(H,16,17)/t10-/m0/s1 |
| Isómeros SMILES | C1=CC=C(C=C1)CN[C@@H](CCC(=O)O)C(=O)O |
| PubChem CID | 11107380 |
| Peso molecular | 237.25 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Clase | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Glutamic acid and derivatives |
| Alternative Parents | L-alpha-amino acids Phenylmethylamines Benzylamines Aralkylamines Amino fatty acids Dicarboxylic acids and derivatives Amino acids Dialkylamines Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Glutamic acid or derivatives - Alpha-amino acid - L-alpha-amino acid - Benzylamine - Phenylmethylamine - Amino fatty acid - Aralkylamine - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Dicarboxylic acid or derivatives - Amino acid - Secondary amine - Carboxylic acid - Secondary aliphatic amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as glutamic acid and derivatives. These are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
| External Descriptors | Not available |
| Peso molecular | 237.250 g/mol |
|---|---|
| XLogP3 | -1.500 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 237.1 Da |
| Monoisotopic Mass | 237.1 Da |
| Topological Polar Surface Area | 86.600 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 261.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
