≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Desiccated Ships Wet ice 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.
| Sonrisas canónicas | CC(C)(C)OC(=O)NC1CCCCN(C1=O)CC(=O)O |
|---|---|
| IUPAC Name | 2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoazepan-1-yl]acetic acid |
| InChIKey | JABSORAZQPYNMZ-VIFPVBQESA-N |
| INCHI | 1S/C13H22N2O5/c1-13(2,3)20-12(19)14-9-6-4-5-7-15(11(9)18)8-10(16)17/h9H,4-8H2,1-3H3,(H,14,19)(H,16,17)/t9-/m0/s1 |
| Isómeros SMILES | CC(C)(C)OC(=O)N[C@H]1CCCCN(C1=O)CC(=O)O |
| PubChem CID | 2756024 |
| Peso molecular | 286.32 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Clase | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Peptides |
| Direct Parent | Dipeptides |
| Alternative Parents | Alpha amino acids and derivatives Caprolactams Azepanes Tertiary carboxylic acid amides Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Alpha-dipeptide - Alpha-amino acid or derivatives - Caprolactam - Azepane - Carbamic acid ester - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Carbonic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Aliphatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. |
| External Descriptors | Not available |
| Peso molecular | 286.320 g/mol |
|---|---|
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 286.153 Da |
| Monoisotopic Mass | 286.153 Da |
| Topological Polar Surface Area | 95.900 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 389.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
