≥98% 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 | CC(C)(C)OC(=O)N1CCCC12CC3N(C2=O)C(CCS3)C(=O)OC |
|---|---|
| IUPAC Name | 1-O'-tert-butyl 4-O-methyl (4R,7R,8aR)-6-oxospiro[3,4,8,8a-tetrahydro-2H-pyrrolo[2,1-b][1,3]thiazine-7,2'-pyrrolidine]-1',4-dicarboxylate |
| InChIKey | NPBOEBYKTZRFHL-PSTGCABASA-N |
| INCHI | 1S/C17H26N2O5S/c1-16(2,3)24-15(22)18-8-5-7-17(18)10-12-19(14(17)21)11(6-9-25-12)13(20)23-4/h11-12H,5-10H2,1-4H3/t11-,12-,17-/m1/s1 |
| Isomeric SMILES | CC(C)(C)OC(=O)N1CCC[C@]12C[C@@H]3N(C2=O)[C@H](CCS3)C(=O)OC |
| PubChem CID | 10785399 |
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 | Diazaspirononane derivatives Pyrrolidine carboxylic acids Pyrrolidine-2-ones N-alkylpyrrolidines Thiazinanes Tertiary carboxylic acid amides Methyl esters Carbamate esters Lactams Azacyclic compounds Monocarboxylic acids and derivatives Thiohemiaminal derivatives Dialkylthioethers Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Alpha-amino acid ester - Diazaspirononane - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidone - 2-pyrrolidone - 1,3-thiazinane - N-alkylpyrrolidine - Methyl ester - Carbamic acid ester - Tertiary carboxylic acid amide - Pyrrolidine - Carboxamide group - Carboxylic acid ester - Lactam - Hemithioaminal - Thioether - Azacycle - Organoheterocyclic compound - Dialkylthioether - Monocarboxylic acid or derivatives - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aliphatic heteropolycyclic 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 | 370.500 g/mol |
|---|---|
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 370.156 Da |
| Monoisotopic Mass | 370.156 Da |
| Topological Polar Surface Area | 101.000 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 590.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| 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 |
![Spiro[pyrrolidine-2,7'(6'H)-[2H]pyrrolo[2,1-b][1,3]thiazine]-1,4'-dicarboxylic acid, tetrahydro-6'-oxo-, 1-(1,1-dimethylethyl) 4'-methyl ester, (2R,4'R,8'aR)- - ≥98% , CAS No.221040-37-5](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)