| Pubchem Sid | 488195300 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488195300 |
| Sonrisas canónicas | C1=CC=C(C=C1)COC(=O)NC(CC(=O)O)C(=O)O |
| IUPAC Name | (2R)-2-(phenylmethoxycarbonylamino)butanedioic acid |
| InChIKey | XYXYXSKSTZAEJW-SECBINFHSA-N |
| INCHI | 1S/C12H13NO6/c14-10(15)6-9(11(16)17)13-12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,18)(H,14,15)(H,16,17)/t9-/m1/s1 |
| Isómeros SMILES | C1=CC=C(C=C1)COC(=O)N[C@H](CC(=O)O)C(=O)O |
| WGK Alemania | 3 |
| Peso molecular | 267.23 |
| Beilstein | 2566464 |
| Reaxy-Rn | 2336721 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2336721&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 |
| Clase | 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 | Benzyloxycarbonyls Dicarboxylic acids and derivatives Carbamate esters Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aspartic acid or derivatives - Benzyloxycarbonyl - Benzenoid - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Carbamic acid ester - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound |
| Descripción | 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 | Fecha | Articulo |
|---|---|---|---|
 B2211236 | Certificate of Analysis | Oct 30, 2025 | C116865 |
| A1325019 | Certificate of Analysis | Sep 05, 2024 | C116865 |
| C23211095 | Certificate of Analysis | Apr 10, 2023 | C116865 |
| C23211099 | Certificate of Analysis | Apr 03, 2023 | C116865 |
| Rotación específica [α] | -10 ° (C=7, AcOH) |
|---|---|
| Punto de fusión (°C) | 117°C |
| Peso molecular | 267.230 g/mol |
| XLogP3 | 0.600 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 267.074 Da |
| Monoisotopic Mass | 267.074 Da |
| Topological Polar Surface Area | 113.000 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 337.000 |
| 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 |
