for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)CC(C(=O)O)N |
|---|---|
| IUPAC Name | (2S)-2-amino-4-[(4-methyl-2-oxochromen-7-yl)amino]-4-oxobutanoic acid |
| InChIKey | ARZPQBJTLVVDNP-JTQLQIEISA-N |
| INCHI | 1S/C14H14N2O5/c1-7-4-13(18)21-11-5-8(2-3-9(7)11)16-12(17)6-10(15)14(19)20/h2-5,10H,6,15H2,1H3,(H,16,17)(H,19,20)/t10-/m0/s1 |
| Isomeric SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C[C@@H](C(=O)O)N |
| PubChem CID | 688365 |
| Molecular Weight | 290.27 |
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 | Asparagine and derivatives |
| Alternative Parents | Coumarins and derivatives 1-benzopyrans L-alpha-amino acids N-arylamides Pyranones and derivatives Fatty amides Benzenoids Heteroaromatic compounds Secondary carboxylic acid amides Lactones Amino acids Monocarboxylic acids and derivatives Oxacyclic compounds Carboxylic acids Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Asparagine or derivatives - Coumarin - Alpha-amino acid - Benzopyran - 1-benzopyran - L-alpha-amino acid - N-arylamide - Pyranone - Fatty amide - Pyran - Benzenoid - Fatty acyl - Heteroaromatic compound - Amino acid - Secondary carboxylic acid amide - Carboxamide group - Lactone - Oxacycle - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organonitrogen compound - Primary aliphatic amine - Organooxygen compound - Organic nitrogen compound - Organopnictogen compound - Primary amine - Organic oxide - Carbonyl group - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as asparagine and derivatives. These are compounds containing asparagine or a derivative thereof resulting from reaction of asparagine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
| External Descriptors | Not available |
| Boil Point(°C) | 610.0±55.0° C at 760 mmHg (Predicted) |
|---|---|
| Molecular Weight | 290.270 g/mol |
| XLogP3 | -1.700 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 290.09 Da |
| Monoisotopic Mass | 290.09 Da |
| Topological Polar Surface Area | 119.000 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 488.000 |
| 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 |
