10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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.
Rho kinase inhibitors
| ALogP | 2.201 |
|---|---|
| HBD Count | 1 |
| Rotatable Bond | 4 |
| Pubchem Sid | 528767823 |
|---|---|
| Canonical Smiles | CCOC(=O)C1C2CC=CC2C3=C(N1)C=CC(=C3)C(=O)O |
| IUPAC Name | 4-ethoxycarbonyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid |
| InChIKey | LQFSYWYGZHWLIW-UHFFFAOYSA-N |
| INCHI | 1S/C16H17NO4/c1-2-21-16(20)14-11-5-3-4-10(11)12-8-9(15(18)19)6-7-13(12)17-14/h3-4,6-8,10-11,14,17H,2,5H2,1H3,(H,18,19) |
| Isomeric SMILES | CCOC(=O)C1C2CC=CC2C3=C(N1)C=CC(=C3)C(=O)O |
| PubChem CID | 3850620 |
| Molecular Weight | 287.31 |
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 |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Alpha amino acid esters |
| Alternative Parents | Quinoline carboxylic acids Hydroquinolines Secondary alkylarylamines Aralkylamines Dicarboxylic acids and derivatives Benzenoids Carboxylic acid esters Amino acids Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alpha-amino acid ester - Quinoline-6-carboxylic acid - Tetrahydroquinoline - Secondary aliphatic/aromatic amine - Aralkylamine - Dicarboxylic acid or derivatives - Benzenoid - Carboxylic acid ester - Amino acid - Carboxylic acid - Azacycle - Secondary amine - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Amine - Carbonyl group - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids. |
| External Descriptors | Not available |
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| DMSO(mM) Max Solubility | 10 |
|---|---|
| Molecular Weight | 287.310 g/mol |
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 287.116 Da |
| Monoisotopic Mass | 287.116 Da |
| Topological Polar Surface Area | 75.600 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 461.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
