for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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 | COC1=CC(=CC2=CC=CC=C21)NC(=O)CCC(C(=O)O)N |
|---|---|
| IUPAC Name | 2-amino-5-[(4-methoxynaphthalen-2-yl)amino]-5-oxopentanoic acid |
| InChIKey | DUNDTSUHZJULAX-UHFFFAOYSA-N |
| INCHI | 1S/C16H18N2O4/c1-22-14-9-11(8-10-4-2-3-5-12(10)14)18-15(19)7-6-13(17)16(20)21/h2-5,8-9,13H,6-7,17H2,1H3,(H,18,19)(H,20,21) |
| Isomeric SMILES | COC1=CC(=CC2=CC=CC=C21)NC(=O)CCC(C(=O)O)N |
| PubChem CID | 4060966 |
| Molecular Weight | 302.33 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | Glutamine and derivatives |
| Alternative Parents | Naphthalenes Alpha amino acids Methoxyanilines N-arylamides Anisoles Alkyl aryl ethers Fatty amides Secondary carboxylic acid amides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Glutamine or derivatives - Alpha-amino acid - Naphthalene - Methoxyaniline - Anisole - N-arylamide - Phenol ether - Alkyl aryl ether - Fatty acyl - Benzenoid - Fatty amide - Amino acid - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Primary aliphatic amine - Primary amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Amine - Organooxygen compound - Organonitrogen compound - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as glutamine and derivatives. These are compounds containing glutamine or a derivative thereof resulting from reaction of glutamine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
| External Descriptors | Not available |
| Molecular Weight | 302.320 g/mol |
|---|---|
| XLogP3 | -1.000 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 302.127 Da |
| Monoisotopic Mass | 302.127 Da |
| Topological Polar Surface Area | 102.000 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 402.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
