≥98% 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.
| Pubchem Sid | 504764531 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504764531 |
| Canonical Smiles | CC(C)(C)OC(=O)CC(C(=O)O)NC(=O)OC(C)(C)C |
| IUPAC Name | (2S)-4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid |
| InChIKey | PHJDCONJXLIIPW-QMMMGPOBSA-N |
| INCHI | 1S/C13H23NO6/c1-12(2,3)19-9(15)7-8(10(16)17)14-11(18)20-13(4,5)6/h8H,7H2,1-6H3,(H,14,18)(H,16,17)/t8-/m0/s1 |
| Isomeric SMILES | CC(C)(C)OC(=O)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C |
| WGK Germany | 3 |
| Molecular Weight | 289.32 |
| Beilstein | 2336144 |
| Reaxy-Rn | 2336144 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2336144&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 acid esters Branched fatty acids Dicarboxylic acids and derivatives Carbamate esters Carboxylic acid esters Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Aspartic acid or derivatives - Branched fatty acid - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Carbamic acid ester - Carboxylic acid ester - Carboxylic acid - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organooxygen 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 | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 E2203054 | Certificate of Analysis | Feb 04, 2026 | B105757 |
| E2203055 | Certificate of Analysis | Feb 04, 2026 | B105757 |
| E2203057 | Certificate of Analysis | Feb 04, 2026 | B105757 |
| D1705086 | Certificate of Analysis | Nov 07, 2024 | B105757 |
| H2430411 | Certificate of Analysis | Aug 17, 2024 | B105757 |
| H2430582 | Certificate of Analysis | Aug 17, 2024 | B105757 |
| H2430583 | Certificate of Analysis | Aug 17, 2024 | B105757 |
| Solubility | Soluble in methanol and dimethyl sulfoxide. |
|---|---|
| Sensitivity | Heat Sensitive |
| Specific Rotation[α] | 2° (C=1,MeOH) |
| Melt Point(°C) | 64-67°C |
| Molecular Weight | 289.320 g/mol |
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 289.153 Da |
| Monoisotopic Mass | 289.153 Da |
| Topological Polar Surface Area | 102.000 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 377.000 |
| 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 |
| 1. Bowen Duan, Hongting Liu, Xiaoxuan Ji, Jingwen Dong, Xinping Luo, Feiran Zhang, Minjie Sun, Zhanwei Zhou. (2024) A bone-targeting permeable nanomicelle acting as an icebreaker for enhancing chemotherapy of osteosarcoma. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2024.150821] |
