| Sonrisas canónicas | C1=CC=C(C=C1)CN(CC(=O)O)CC(=O)O |
|---|---|
| IUPAC Name | 2-[benzyl(carboxymethyl)amino]acetic acid |
| InChIKey | SZQUPQVVCLFZLC-UHFFFAOYSA-N |
| INCHI | 1S/C11H13NO4/c13-10(14)7-12(8-11(15)16)6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,14)(H,15,16) |
| Isómeros SMILES | C1=CC=C(C=C1)CN(CC(=O)O)CC(=O)O |
| WGK Alemania | 3 |
| Peso molecular | 223.23 |
| Beilstein | 12(2)567 |
| Reaxy-Rn | 2940443 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2940443&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | Alpha amino acids |
| Alternative Parents | Phenylmethylamines Benzylamines Aralkylamines Dicarboxylic acids and derivatives Trialkylamines Amino acids Carboxylic acids Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alpha-amino acid - Benzylamine - Phenylmethylamine - Aralkylamine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Amino acid - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). |
| External Descriptors | Not available |
| Solubilidad | Solubility in hot Water very faint turbidity |
|---|---|
| Punto de fusión (°C) | 198.0-203.0℃ |
| Peso molecular | 223.220 g/mol |
| XLogP3 | -1.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 223.084 Da |
| Monoisotopic Mass | 223.084 Da |
| Topological Polar Surface Area | 77.800 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 232.000 |
| 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 |
J2523633