≥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)N1CC(CC1C(=O)N2CCSC2)O |
|---|---|
| IUPAC Name | tert-butyl (2S,4R)-4-hydroxy-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate |
| InChIKey | CABJFRFFUZMDSS-ZJUUUORDSA-N |
| INCHI | 1S/C13H22N2O4S/c1-13(2,3)19-12(18)15-7-9(16)6-10(15)11(17)14-4-5-20-8-14/h9-10,16H,4-8H2,1-3H3/t9-,10+/m1/s1 |
| Isomeric SMILES | CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1C(=O)N2CCSC2)O |
| PubChem CID | 67506663 |
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 amides |
| Alternative Parents | Pyrrolidinecarboxamides Pyrrolidine carboxylic acids N-acyl amines Thiazolidines Tertiary carboxylic acid amides N,S-acetals Carbamate esters Secondary alcohols Organic carbonic acids and derivatives Sulfenyl compounds Dialkylthioethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Alpha-amino acid amide - Pyrrolidine-2-carboxamide - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - N-acyl-amine - N,s-acetal - Carbamic acid ester - Thiazolidine - Tertiary carboxylic acid amide - Pyrrolidine - Secondary alcohol - Carbonic acid derivative - Carboxamide group - Azacycle - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Hemithioaminal - Thioether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Alcohol - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids. |
| External Descriptors | Not available |
| Molecular Weight | 302.390 g/mol |
|---|---|
| XLogP3 | 0.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 302.13 Da |
| Monoisotopic Mass | 302.13 Da |
| Topological Polar Surface Area | 95.400 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 396.000 |
| 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 |
