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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC(C)(C)OC(=O)N1CCN2C(=CC=C2C(=O)O)C1 |
|---|---|
| IUPAC Name | 2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carboxylic acid |
| InChIKey | CUJDIXRXWMKMID-UHFFFAOYSA-N |
| INCHI | 1S/C13H18N2O4/c1-13(2,3)19-12(18)14-6-7-15-9(8-14)4-5-10(15)11(16)17/h4-5H,6-8H2,1-3H3,(H,16,17) |
| Isomeric SMILES | CC(C)(C)OC(=O)N1CCN2C(=CC=C2C(=O)O)C1 |
| Alternate CAS | 1363380-86-2 |
| PubChem CID | 72208041 |
| Molecular Weight | 266.3 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyrroles |
| Subclass | Pyrrole carboxylic acids and derivatives |
| Intermediate Tree Nodes | Pyrrole carboxylic acids |
| Direct Parent | Pyrrole 2-carboxylic acids |
| Alternative Parents | Substituted pyrroles Heteroaromatic compounds Carbamate esters Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrrole-2-carboxylic acid - Substituted pyrrole - Heteroaromatic compound - Carbamic acid ester - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrrole 2-carboxylic acids. These are pyrrole carboxylic acids where the carboxyl group is attached at position C2. |
| External Descriptors | Not available |
| Molecular Weight | 266.290 g/mol |
|---|---|
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 266.127 Da |
| Monoisotopic Mass | 266.127 Da |
| Topological Polar Surface Area | 71.800 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 377.000 |
| 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 |