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≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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)N1CCC(CC1)C2=C(N=CO2)C(=O)O |
|---|---|
| IUPAC Name | 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylic acid |
| InChIKey | IKDSOZSAZOWWKW-UHFFFAOYSA-N |
| INCHI | 1S/C14H20N2O5/c1-14(2,3)21-13(19)16-6-4-9(5-7-16)11-10(12(17)18)15-8-20-11/h8-9H,4-7H2,1-3H3,(H,17,18) |
| Isomeric SMILES | CC(C)(C)OC(=O)N1CCC(CC1)C2=C(N=CO2)C(=O)O |
| Alternate CAS | 1252657-86-5 |
| PubChem CID | 66792744 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Piperidines |
| Subclass | Piperidinecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Piperidinecarboxylic acids |
| Alternative Parents | 4,5-disubstituted oxazoles Heteroaromatic compounds Carbamate esters Oxacyclic compounds Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Piperidinecarboxylic acid - 4,5-disubstituted 1,3-oxazole - Azole - Oxazole - Carbamic acid ester - Heteroaromatic compound - Azacycle - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid group. |
| External Descriptors | Not available |
| Molecular Weight | 296.320 g/mol |
|---|---|
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 296.137 Da |
| Monoisotopic Mass | 296.137 Da |
| Topological Polar Surface Area | 92.900 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 399.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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 |