≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
L-Aspartic acid 1-benzyl ester, is used as an intermediate in organic synthesis. It is also used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.
| Pubchem Sid | 488195955 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488195955 |
| Canonical Smiles | C1=CC=C(C=C1)COC(=O)C(CC(=O)O)N |
| IUPAC Name | (3S)-3-amino-4-oxo-4-phenylmethoxybutanoic acid |
| InChIKey | NJSRYBIBUXBNSW-VIFPVBQESA-N |
| INCHI | 1S/C11H13NO4/c12-9(6-10(13)14)11(15)16-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)/t9-/m0/s1 |
| Isomeric SMILES | C1=CC=C(C=C1)COC(=O)[C@H](CC(=O)O)N |
| Molecular Weight | 223.2 |
| Beilstein | 6(4)2527 |
| Reaxy-Rn | 10252231 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10252231&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 | Alpha amino acid esters Benzyloxycarbonyls Fatty acid esters Dicarboxylic acids and derivatives Quaternary ammonium salts Carboxylic acid salts Carboxylic acid esters Carboxylic acids Organic zwitterions Organic salts Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aspartic acid or derivatives - Alpha-amino acid ester - Benzyloxycarbonyl - Fatty acid ester - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Benzenoid - Quaternary ammonium salt - Carboxylic acid ester - Carboxylic acid salt - Carboxylic acid - Organonitrogen compound - Primary aliphatic amine - Organic salt - Hydrocarbon derivative - Amine - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Organic zwitterion - Aromatic homomonocyclic 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 |
|---|---|---|---|
 H1404033 | Certificate of Analysis | Mar 20, 2026 | A116966 |
| E1818080 | Certificate of Analysis | Jan 05, 2026 | A116966 |
| E1818079 | Certificate of Analysis | Apr 02, 2022 | A116966 |
| B2219228 | Certificate of Analysis | Jan 10, 2022 | A116966 |
| B2219466 | Certificate of Analysis | Jan 10, 2022 | A116966 |
| B2219478 | Certificate of Analysis | Jan 10, 2022 | A116966 |
| B2328292 | Certificate of Analysis | Jan 10, 2022 | A116966 |
| B2328293 | Certificate of Analysis | Jan 10, 2022 | A116966 |
| B2328294 | Certificate of Analysis | Jan 10, 2022 | A116966 |
| Solubility | Soluble in HCI solution. |
|---|---|
| Sensitivity | Heat sensitive |
| Specific Rotation[α] | -14 ° (C=1, 0.1mol/L HCl) |
| Melt Point(°C) | 166°C |
| Molecular Weight | 223.220 g/mol |
| XLogP3 | -2.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 223.084 Da |
| Monoisotopic Mass | 223.084 Da |
| Topological Polar Surface Area | 89.600 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 248.000 |
| 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 |
