≥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(C1)C(=O)O)C2=CC=NC=C2 |
|---|---|
| IUPAC Name | (3R,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-4-ylpyrrolidine-3-carboxylic acid |
| InChIKey | MFBDFVFXHFCNQX-NEPJUHHUSA-N |
| INCHI | 1S/C15H20N2O4/c1-15(2,3)21-14(20)17-8-11(12(9-17)13(18)19)10-4-6-16-7-5-10/h4-7,11-12H,8-9H2,1-3H3,(H,18,19)/t11-,12+/m1/s1 |
| Isomeric SMILES | CC(C)(C)OC(=O)N1C[C@@H]([C@H](C1)C(=O)O)C2=CC=NC=C2 |
| Alternate CAS | 959579-54-5 |
| PubChem CID | 56777110 |
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 | Pyridines and derivatives Heteroaromatic compounds Carbamate esters Tertiary amines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyrrolidine carboxylic acid - Pyridine - Heteroaromatic compound - Carbamic acid ester - Amino acid or derivatives - Amino acid - Tertiary amine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - 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 | 292.330 g/mol |
|---|---|
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 292.142 Da |
| Monoisotopic Mass | 292.142 Da |
| Topological Polar Surface Area | 79.700 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 399.000 |
| 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 |
![rac-(3R,4S)-1-[(tert-butoxy)carbonyl]-4-(pyridin-4-yl)pyrrolidine-3-carboxylic acid - ≥95% , CAS No.959579-54-5](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)