≥97% 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.
| Pubchem Sid | 528759031 |
|---|---|
| Canonical Smiles | CC1(CCNC1)C(=O)O |
| IUPAC Name | 3-methylpyrrolidine-3-carboxylic acid |
| InChIKey | JXNPHMVNQPDXQI-UHFFFAOYSA-N |
| INCHI | 1S/C6H11NO2/c1-6(5(8)9)2-3-7-4-6/h7H,2-4H2,1H3,(H,8,9) |
| Isomeric SMILES | CC1(CCNC1)C(=O)O |
| Alternate CAS | 885953-27-5 |
| PubChem CID | 3509091 |
| MeSH Entry Terms | alpha-methyl-beta-proline |
| Molecular Weight | 129.16 |
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 | Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Pyrrolidine carboxylic acid - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Azacycle - Secondary amine - Monocarboxylic acid or derivatives - Amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aliphatic 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 | 129.160 g/mol |
|---|---|
| XLogP3 | -2.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 129.079 Da |
| Monoisotopic Mass | 129.079 Da |
| Topological Polar Surface Area | 49.300 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 135.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
I2518315