≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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.
| Pubchem Sid | 488191272 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488191272 |
| Sonrisas canónicas | CC(C)C(C(=O)O)NC(=O)OCC1=CC=CC=C1 |
| IUPAC Name | (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid |
| InChIKey | CANZBRDGRHNSGZ-NSHDSACASA-N |
| INCHI | 1S/C13H17NO4/c1-9(2)11(12(15)16)14-13(17)18-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,17)(H,15,16)/t11-/m0/s1 |
| Isómeros SMILES | CC(C)[C@@H](C(=O)O)NC(=O)OCC1=CC=CC=C1 |
| WGK Alemania | 3 |
| Peso molecular | 251.28 |
| Beilstein | 2056617 |
| Reaxy-Rn | 2056615 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2056615&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 | Valine and derivatives |
| Alternative Parents | Benzyloxycarbonyls Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Valine or derivatives - Benzyloxycarbonyl - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Carbonic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as valine and derivatives. These are compounds containing valine or a derivative thereof resulting from reaction of valine 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 |
|---|---|---|---|
 J1423009 | Certificate of Analysis | Apr 15, 2026 | C105462 |
| J2126131 | Certificate of Analysis | Aug 11, 2025 | C105462 |
| J2126134 | Certificate of Analysis | Aug 11, 2025 | C105462 |
| J2126137 | Certificate of Analysis | Aug 11, 2025 | C105462 |
| J2126143 | Certificate of Analysis | Aug 11, 2025 | C105462 |
| J2126144 | Certificate of Analysis | Aug 11, 2025 | C105462 |
| G2415491 | Certificate of Analysis | Apr 29, 2024 | C105462 |
| I1905025 | Certificate of Analysis | Jun 09, 2023 | C105462 |
| K2201142 | Certificate of Analysis | Jul 21, 2022 | C105462 |
| K2201310 | Certificate of Analysis | Jul 21, 2022 | C105462 |
| K2201330 | Certificate of Analysis | Jul 21, 2022 | C105462 |
| K2201369 | Certificate of Analysis | Jul 21, 2022 | C105462 |
| K2201372 | Certificate of Analysis | Jul 21, 2022 | C105462 |
| Solubilidad | Easily soluble in water (16%, 20 ℃), insoluble in ethanol, insoluble in ether. |
|---|---|
| Rotación específica [α] | -4.3 ° (C=2, AcOH) |
| Punto de fusión (°C) | 55-61°C |
| Peso molecular | 251.280 g/mol |
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 251.116 Da |
| Monoisotopic Mass | 251.116 Da |
| Topological Polar Surface Area | 75.600 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 285.000 |
| 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 |
