≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Store at -20°C,Argon charged Ships Ice chest + Ice pads 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.
| Canonical Smiles | CC(C)(C)OC(=O)NCCOCCC(=O)ON1C(=O)CCC1=O |
|---|---|
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]propanoate |
| InChIKey | KTMOAQDFUHQKJY-UHFFFAOYSA-N |
| INCHI | 1S/C14H22N2O7/c1-14(2,3)22-13(20)15-7-9-21-8-6-12(19)23-16-10(17)4-5-11(16)18/h4-9H2,1-3H3,(H,15,20) |
| Isomeric SMILES | CC(C)(C)OC(=O)NCCOCCC(=O)ON1C(=O)CCC1=O |
| Molecular Weight | 330.33 |
| Reaxy-Rn | 11215718 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11215718&ln= |
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 | Organoheterocyclic compounds |
| Class | Pyrrolidines |
| Subclass | Pyrrolidones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrrolidine-2-ones |
| Alternative Parents | Dicarboximides Carbamate esters Lactams Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | 2-pyrrolidone - Dicarboximide - Carbamic acid ester - Lactam - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Azacycle - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrrolidine-2-ones. These are pyrrolidines which bear a C=O group at position 2 of the pyrrolidine ring. |
| External Descriptors | Not available |
| Molecular Weight | 330.330 g/mol |
|---|---|
| XLogP3 | -0.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 10 |
| Exact Mass | 330.143 Da |
| Monoisotopic Mass | 330.143 Da |
| Topological Polar Surface Area | 111.000 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 454.000 |
| 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 |
