≥96% 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488184604 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488184604 |
| Canonical Smiles | CC(C(=O)O)NC(=O)OCC1=CC=CC=C1 |
| IUPAC Name | (2R)-2-(phenylmethoxycarbonylamino)propanoic acid |
| InChIKey | TYRGLVWXHJRKMT-MRVPVSSYSA-N |
| INCHI | 1S/C11H13NO4/c1-8(10(13)14)12-11(15)16-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,15)(H,13,14)/t8-/m1/s1 |
| Isomeric SMILES | C[C@H](C(=O)O)NC(=O)OCC1=CC=CC=C1 |
| WGK Germany | 3 |
| Molecular Weight | 223.23 |
| Beilstein | 6275817 |
| Reaxy-Rn | 1471056 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1471056&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 | Alanine 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 | Alanine 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 |
| Description | This compound belongs to the class of organic compounds known as alanine and derivatives. These are compounds containing alanine or a derivative thereof resulting from reaction of alanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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 |
|---|---|---|---|
 C2616108 | Certificate of Analysis | Mar 19, 2026 | A113952 |
| C2219158 | Certificate of Analysis | Jan 19, 2026 | A113952 |
| C2219219 | Certificate of Analysis | Jan 19, 2026 | A113952 |
| C2219220 | Certificate of Analysis | Jan 19, 2026 | A113952 |
| B2211076 | Certificate of Analysis | Oct 30, 2025 | A113952 |
| K1721003 | Certificate of Analysis | Jun 16, 2025 | A113952 |
| E2421115 | Certificate of Analysis | Apr 11, 2024 | A113952 |
| E2421116 | Certificate of Analysis | Apr 11, 2024 | A113952 |
| E2421119 | Certificate of Analysis | Apr 11, 2024 | A113952 |
| B2327250 | Certificate of Analysis | Mar 06, 2023 | A113952 |
| B2327262 | Certificate of Analysis | Jan 21, 2022 | A113952 |
| C2219152 | Certificate of Analysis | Jan 21, 2022 | A113952 |
| B2211075 | Certificate of Analysis | Dec 30, 2021 | A113952 |
| B2211225 | Certificate of Analysis | Dec 30, 2021 | A113952 |
| B2327247 | Certificate of Analysis | Dec 30, 2021 | A113952 |
| B2327253 | Certificate of Analysis | Dec 30, 2021 | A113952 |
| Specific Rotation[α] | 15 ° (C=2, AcOH) |
|---|---|
| Melt Point(°C) | 85°C |
| Molecular Weight | 223.220 g/mol |
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 223.084 Da |
| Monoisotopic Mass | 223.084 Da |
| Topological Polar Surface Area | 75.600 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 |
