≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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)NCCN1CCN(CC1)CC=CC(=O)O |
|---|---|
| IUPAC Name | (E)-4-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperazin-1-yl]but-2-enoic acid |
| InChIKey | XQTIHILHJPULOA-SNAWJCMRSA-N |
| INCHI | 1S/C15H27N3O4/c1-15(2,3)22-14(21)16-6-8-18-11-9-17(10-12-18)7-4-5-13(19)20/h4-5H,6-12H2,1-3H3,(H,16,21)(H,19,20)/b5-4+ |
| Isomeric SMILES | CC(C)(C)OC(=O)NCCN1CCN(CC1)C/C=C/C(=O)O |
| PubChem CID | 59799013 |
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 | Lipids and lipid-like molecules |
| Class | Fatty Acyls |
| Subclass | Fatty acids and conjugates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Heterocyclic fatty acids |
| Alternative Parents | N-alkylpiperazines Branched fatty acids Amino fatty acids Unsaturated fatty acids Carbamate esters Trialkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Amino fatty acid - Branched fatty acid - Heterocyclic fatty acid - N-alkylpiperazine - 1,4-diazinane - Piperazine - Unsaturated fatty acid - Carbamic acid ester - Amino acid or derivatives - Amino acid - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Hydrocarbon derivative - Amine - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as heterocyclic fatty acids. These are fatty acids containing a heterocyclic attached to the acyl chain. |
| External Descriptors | Not available |
| Molecular Weight | 313.390 g/mol |
|---|---|
| XLogP3 | -1.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 313.2 Da |
| Monoisotopic Mass | 313.2 Da |
| Topological Polar Surface Area | 82.100 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 396.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
