Determine the necessary mass, volume, or concentration for preparing a solution.
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≥98%(T) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
A useful biochemical for proteomics research
| Pubchem Sid | 504750373 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504750373 |
| Canonical Smiles | C(C(C(=O)O)NC(=O)N)C(=O)O |
| IUPAC Name | 2-(carbamoylamino)butanedioic acid |
| InChIKey | HLKXYZVTANABHZ-UHFFFAOYSA-N |
| INCHI | 1S/C5H8N2O5/c6-5(12)7-2(4(10)11)1-3(8)9/h2H,1H2,(H,8,9)(H,10,11)(H3,6,7,12) |
| Isomeric SMILES | C(C(C(=O)O)NC(=O)N)C(=O)O |
| Molecular Weight | 176.13 |
| Reaxy-Rn | 1726859 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1726859&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 | 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 | Aspartic acid and derivatives |
| Alternative Parents | Fatty acids and conjugates Dicarboxylic acids and derivatives Isoureas Carboxylic acids Carboximidamides Organopnictogen compounds Organic oxides Imines Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Aspartic acid or derivatives - Dicarboxylic acid or derivatives - Fatty acid - Isourea - Carboximidamide - Carboxylic acid - Carboximidic acid derivative - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organonitrogen compound - Imine - Organopnictogen compound - Organic oxygen compound - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as aspartic acid and derivatives. These are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
| External Descriptors | C4-dicarboxylic acid - aspartic acid derivative - N-carbamoyl-amino acid |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Feb 08, 2025 | N159242 | |
| Certificate of Analysis | Sep 02, 2022 | N159242 | |
| Certificate of Analysis | Sep 02, 2022 | N159242 | |
| Certificate of Analysis | Sep 02, 2022 | N159242 | |
| Certificate of Analysis | Sep 02, 2022 | N159242 | |
| Certificate of Analysis | Sep 02, 2022 | N159242 | |
| Certificate of Analysis | Sep 02, 2022 | N159242 |
| Solubility | Soluble in hot water. |
|---|---|
| Sensitivity | Heat Sensitive |
| Melt Point(°C) | 174-175°C |
| Molecular Weight | 176.130 g/mol |
| XLogP3 | -1.900 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 176.043 Da |
| Monoisotopic Mass | 176.043 Da |
| Topological Polar Surface Area | 130.000 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 214.000 |
| 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 |
| 1. Xiao Gu, Jiaying Wu, Dekai Liu, Chuxin Wang, Peiqin Chen, Chunying Jin, Guangya Zhang, Wei Jiang. (2025) Multienzyme Complex System for Cascade Biotransformation of Ammonia and Carbon Dioxide. ACS Sustainable Chemistry & Engineering, [PMID:] [10.1021/acssuschemeng.5c05160] |