| Sonrisas canónicas | COC(=O)C(CO)NCC1=CC=CC=C1 |
|---|---|
| IUPAC Name | methyl (2S)-2-(benzylamino)-3-hydroxypropanoate |
| InChIKey | GMZGWPPEZCREPP-JTQLQIEISA-N |
| INCHI | 1S/C11H15NO3/c1-15-11(14)10(8-13)12-7-9-5-3-2-4-6-9/h2-6,10,12-13H,7-8H2,1H3/t10-/m0/s1 |
| Isómeros SMILES | COC(=O)[C@H](CO)NCC1=CC=CC=C1 |
| Peso molecular | 209.2 |
| Reaxy-Rn | 6598563 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6598563&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 acid esters |
| Alternative Parents | Serine and derivatives Phenylmethylamines Benzylamines Beta hydroxy acids and derivatives Aralkylamines Methyl esters Monocarboxylic acids and derivatives Dialkylamines Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alpha-amino acid ester - Serine or derivatives - Benzylamine - Phenylmethylamine - Beta-hydroxy acid - Aralkylamine - Monocyclic benzene moiety - Hydroxy acid - Benzenoid - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Secondary amine - Primary alcohol - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Alcohol - Amine - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids. |
| External Descriptors | Not available |
| Peso molecular | 209.240 g/mol |
|---|---|
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 209.105 Da |
| Monoisotopic Mass | 209.105 Da |
| Topological Polar Surface Area | 58.600 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 190.000 |
| 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 |
