≥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 | CC(C)(C)OC(=O)N1CC[C@@H](C1)NC2=C(C=CC=N2)[N+](=O)[O-] |
|---|---|
| IUPAC Name | tert-butyl (3S)-3-[(3-nitropyridin-2-yl)amino]pyrrolidine-1-carboxylate |
| InChIKey | ILLSIIVHFYOOJM-JTQLQIEISA-N |
| INCHI | 1S/C14H20N4O4/c1-14(2,3)22-13(19)17-8-6-10(9-17)16-12-11(18(20)21)5-4-7-15-12/h4-5,7,10H,6,8-9H2,1-3H3,(H,15,16)/t10-/m0/s1 |
| Molecular Weight | 308.330 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyrrolidines |
| Subclass | Pyrrolidine carboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrrolidine carboxylic acids |
| Alternative Parents | Nitroaromatic compounds Aminopyridines and derivatives Imidolactams Heteroaromatic compounds Carbamate esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Nitroaromatic compound - Pyrrolidine carboxylic acid - Aminopyridine - Pyridine - Imidolactam - Heteroaromatic compound - Carbamic acid ester - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Amine - Organic zwitterion - Carbonyl group - Organic oxygen compound - Organic salt - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrrolidine carboxylic acids. These are compounds containing a pyrrolidine ring which bears a carboxylic acid. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms. |
| External Descriptors | Not available |
| Molecular Weight | 308.330 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 308.148 Da |
| Monoisotopic Mass | 308.148 Da |
| Topological Polar Surface Area | 100.000 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 418.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
