Determine the necessary mass, volume, or concentration for preparing a solution.
≥98% 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 | C1CC(NC1)C(=O)NCC(=O)N2CCCC2C(=O)O |
|---|---|
| IUPAC Name | (2S)-1-[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carboxylic acid |
| InChIKey | BRPMXFSTKXXNHF-IUCAKERBSA-N |
| INCHI | 1S/C12H19N3O4/c16-10(15-6-2-4-9(15)12(18)19)7-14-11(17)8-3-1-5-13-8/h8-9,13H,1-7H2,(H,14,17)(H,18,19)/t8-,9-/m0/s1 |
| Isomeric SMILES | C1C[C@H](NC1)C(=O)NCC(=O)N2CCC[C@H]2C(=O)O |
| Alternate CAS | 7561-51-5,25104-46-5 |
| PubChem CID | 9903507 |
| MeSH Entry Terms | PGP peptide;Pro-Gly-Pro;prolyl-glycyl-proline |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Peptides |
| Direct Parent | Oligopeptides |
| Alternative Parents | N-acyl-L-alpha-amino acids Proline and derivatives Alpha amino acid amides N-acylpyrrolidines Pyrrolidinecarboxamides Pyrrolidine carboxylic acids Tertiary carboxylic acid amides Secondary carboxylic acid amides Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Alpha-oligopeptide - N-acyl-alpha-amino acid - Proline or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - Alpha-amino acid amide - Alpha-amino acid or derivatives - N-acylpyrrolidine - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Pyrrolidine - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Amino acid - Secondary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Amine - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. |
| External Descriptors | Not available |
| Molecular Weight | 269.300 g/mol |
|---|---|
| XLogP3 | -3.000 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 269.138 Da |
| Monoisotopic Mass | 269.138 Da |
| Topological Polar Surface Area | 98.700 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 385.000 |
| 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 |