≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | COC(=O)C1CC(CN1C(=O)C2=CC=CC=C2)N.Cl |
|---|---|
| IUPAC Name | methyl (2S,4S)-4-amino-1-benzoylpyrrolidine-2-carboxylate;hydrochloride |
| InChIKey | XEXLBAVGJNOWOE-ACMTZBLWSA-N |
| INCHI | 1S/C13H16N2O3.ClH/c1-18-13(17)11-7-10(14)8-15(11)12(16)9-5-3-2-4-6-9;/h2-6,10-11H,7-8,14H2,1H3;1H/t10-,11-;/m0./s1 |
| Isómeros SMILES | COC(=O)[C@@H]1C[C@@H](CN1C(=O)C2=CC=CC=C2)N.Cl |
| PubChem CID | 45072440 |
| Peso molecular | 284.74 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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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 - N-acyl-alpha amino acids and derivatives |
| Direct Parent | N-acyl-alpha amino acids |
| Alternative Parents | Proline and derivatives Alpha amino acid esters Benzamides Pyrrolidine carboxylic acids N-acylpyrrolidines Benzoyl derivatives Tertiary carboxylic acid amides Methyl esters Tertiary amines Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Hydrochlorides Monoalkylamines Organic oxides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alpha-amino acid ester - Proline or derivatives - N-acyl-alpha-amino acid - Benzamide - Benzoic acid or derivatives - N-acylpyrrolidine - Benzoyl - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Monocyclic benzene moiety - Benzenoid - Pyrrolidine - Tertiary carboxylic acid amide - Methyl ester - Tertiary amine - Carboxamide group - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Primary aliphatic amine - Amine - Hydrochloride - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. |
| External Descriptors | Not available |
| Peso molecular | 284.740 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 284.093 Da |
| Monoisotopic Mass | 284.093 Da |
| Topological Polar Surface Area | 72.600 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 326.000 |
| 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 | 2 |
