≥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.
| Canonical Smiles | COC(=O)C1CC(CN1)NC(=O)OCC2=CC=CC=C2.Cl.Cl |
|---|---|
| IUPAC Name | methyl (2S,4S)-4-(phenylmethoxycarbonylamino)pyrrolidine-2-carboxylate;dihydrochloride |
| InChIKey | HQUSUWARFWJKPL-AQEKLAMFSA-N |
| INCHI | 1S/C14H18N2O4.2ClH/c1-19-13(17)12-7-11(8-15-12)16-14(18)20-9-10-5-3-2-4-6-10;;/h2-6,11-12,15H,7-9H2,1H3,(H,16,18);2*1H/t11-,12-;;/m0../s1 |
| Isomeric SMILES | COC(=O)[C@@H]1C[C@@H](CN1)NC(=O)OCC2=CC=CC=C2.Cl.Cl |
| PubChem CID | 49835908 |
| Molecular Weight | 351.2 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | 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 Benzyloxycarbonyls Pyrrolidine carboxylic acids Methyl esters Carbamate esters Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alpha-amino acid ester - Proline or derivatives - Benzyloxycarbonyl - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Monocyclic benzene moiety - Benzenoid - Pyrrolidine - Carbamic acid ester - Methyl ester - Carboxylic acid ester - Secondary amine - Azacycle - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Organoheterocyclic compound - Hydrochloride - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound |
| Description | 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 |
| Molecular Weight | 351.200 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 350.08 Da |
| Monoisotopic Mass | 350.08 Da |
| Topological Polar Surface Area | 76.700 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 342.000 |
| 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 | 3 |
