| Sonrisas canónicas | CN1CC(CC1C(=O)OC)O |
|---|---|
| IUPAC Name | methyl (2S,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylate |
| InChIKey | RJOHENGSJXRMSW-RITPCOANSA-N |
| INCHI | 1S/C7H13NO3/c1-8-4-5(9)3-6(8)7(10)11-2/h5-6,9H,3-4H2,1-2H3/t5-,6+/m1/s1 |
| Isómeros SMILES | CN1C[C@@H](C[C@H]1C(=O)OC)O |
| PubChem CID | 15594656 |
| Peso molecular | 159.2 |
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 | Proline and derivatives Pyrrolidine carboxylic acids N-alkylpyrrolidines Methyl esters Trialkylamines Secondary alcohols 1,2-aminoalcohols Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Alpha-amino acid ester - Proline or derivatives - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - N-alkylpyrrolidine - Pyrrolidine - Methyl ester - 1,2-aminoalcohol - Carboxylic acid ester - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Alcohol - Carbonyl group - Organic nitrogen compound - Amine - Aliphatic heteromonocyclic 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 | 159.180 g/mol |
|---|---|
| XLogP3 | -0.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 159.09 Da |
| Monoisotopic Mass | 159.09 Da |
| Topological Polar Surface Area | 49.800 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 160.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
