≥98% 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488191326 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488191326 |
| Canonical Smiles | CC(C(=O)O)NC(=O)OCC1=CC=CC=C1 |
| IUPAC Name | (2S)-2-(phenylmethoxycarbonylamino)propanoic acid |
| InChIKey | TYRGLVWXHJRKMT-QMMMGPOBSA-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-/m0/s1 |
| Isomeric SMILES | C[C@@H](C(=O)O)NC(=O)OCC1=CC=CC=C1 |
| WGK Germany | 3 |
| Molecular Weight | 223.23 |
| Beilstein | 2056164 |
| 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 I2202955 | Certificate of Analysis | Jun 11, 2026 | Z108996 |
| I2202957 | Certificate of Analysis | Jun 11, 2026 | Z108996 |
| I2202958 | Certificate of Analysis | Jun 11, 2026 | Z108996 |
| L2106737 | Certificate of Analysis | Sep 24, 2025 | Z108996 |
| L2106738 | Certificate of Analysis | Sep 24, 2025 | Z108996 |
| L2106742 | Certificate of Analysis | Sep 24, 2025 | Z108996 |
| J1912085 | Certificate of Analysis | Aug 14, 2023 | Z108996 |
| H1510266 | Certificate of Analysis | Apr 12, 2023 | Z108996 |
| A1513012 | Certificate of Analysis | Sep 20, 2022 | Z108996 |
| E2309047 | Certificate of Analysis | Jun 24, 2022 | Z108996 |
| E2309067 | Certificate of Analysis | Jun 24, 2022 | Z108996 |
| E2309050 | Certificate of Analysis | Sep 09, 2021 | Z108996 |
| Solubility | [α]23/D −14.2°, c = 2 in acetic acid |
|---|---|
| Specific Rotation[α] | [α]23/D −14.2°, c = 2 |
| Melt Point(°C) | 82-84 °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 |
| 1. Zhanpeng Ren, Jianying Wang, Chenglong Xue, Minghua Deng, Haiyang Yu, Tianci Lin, Jiayuan Zheng, Rongxiang He, Xianbao Wang, Jinhua Li. (2023) Ultrahighly Sensitive and Selective Glutathione Sensor Based on Carbon Dot-Functionalized Solution-Gate Graphene Transistor. ANALYTICAL CHEMISTRY, [PMID:37971943] [10.1021/acs.analchem.3c03656] |
| 2. Yuan-Yuan Zhu, Ting-Ting Yin, Xue-Liang Li, Ming Su, Ya-Xin Xue, Zhi-Peng Yu, Na Liu, Jun Yin, Zong-Quan Wu. (2014) Synthesis and Chiroptical Properties of Helical Polyallenes Bearing Chiral Amide Pendants. MACROMOLECULES, [PMID:] [10.1021/ma5019022] |
