≥99% 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488190852 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488190852 |
| Canonical Smiles | CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)O |
| IUPAC Name | (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid |
| InChIKey | ZYJPUMXJBDHSIF-LLVKDONJSA-N |
| INCHI | 1S/C14H19NO4/c1-14(2,3)19-13(18)15-11(12(16)17)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17)/t11-/m1/s1 |
| Isomeric SMILES | CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1)C(=O)O |
| WGK Germany | 3 |
| Molecular Weight | 265.3 |
| Beilstein | 4695945 |
| Reaxy-Rn | 1130179 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1130179&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 | Phenylalanine and derivatives |
| Alternative Parents | Phenylpropanoic acids Amphetamines and derivatives 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 | Phenylalanine or derivatives - 3-phenylpropanoic-acid - Amphetamine or derivatives - Benzenoid - Monocyclic benzene moiety - Carbamic acid ester - Carbonic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Organopnictogen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine 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 |
|---|---|---|---|
 K2116113 | Certificate of Analysis | Aug 13, 2025 | B105768 |
| K2116114 | Certificate of Analysis | Aug 13, 2025 | B105768 |
| K1618061 | Certificate of Analysis | Jun 03, 2024 | B105768 |
| E2515052 | Certificate of Analysis | Jun 01, 2023 | B105768 |
| F2325336 | Certificate of Analysis | Jun 01, 2023 | B105768 |
| F2325337 | Certificate of Analysis | Jun 01, 2023 | B105768 |
| F2325338 | Certificate of Analysis | Jun 01, 2023 | B105768 |
| F2325339 | Certificate of Analysis | Jun 01, 2023 | B105768 |
| F2325340 | Certificate of Analysis | Jun 01, 2023 | B105768 |
| Sensitivity | Heat Sensitive |
|---|---|
| Specific Rotation[α] | -25 ° (C=1, EtOH) |
| Melt Point(°C) | 85-88°C |
| Molecular Weight | 265.300 g/mol |
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 265.131 Da |
| Monoisotopic Mass | 265.131 Da |
| Topological Polar Surface Area | 75.600 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 316.000 |
| 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. Juexin Huang, Jingyi Xia, Sravan Baddi, Yu Zhao, Chuan-liang Feng. (2025) Dual-Scale Polarization Engineering of d-Phenylalanine-Based Assemblies for High-Performance Nanogenerators. ACS Nano, [PMID:40598888] [10.1021/acsnano.5c03436] |
