≥97% 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.
3-Methylhippuric acid is also referred as m-methyl-hippuric acid. It is major product of xylene biotransformation in urine.
| Pubchem Sid | 488187170 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488187170 |
| Canonical Smiles | CC1=CC(=CC=C1)C(=O)NCC(=O)O |
| IUPAC Name | 2-[(3-methylbenzoyl)amino]acetic acid |
| InChIKey | YKAKNMHEIJUKEX-UHFFFAOYSA-N |
| INCHI | 1S/C10H11NO3/c1-7-3-2-4-8(5-7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13) |
| Isomeric SMILES | CC1=CC(=CC=C1)C(=O)NCC(=O)O |
| WGK Germany | 3 |
| Molecular Weight | 193.2 |
| Reaxy-Rn | 2103978 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2103978&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 - N-acyl-alpha amino acids and derivatives |
| Direct Parent | N-acyl-alpha amino acids |
| Alternative Parents | Toluenes Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboxylic acids Carboximidic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | N-acyl-alpha-amino acid - Toluene - Monocyclic benzene moiety - Benzenoid - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organopnictogen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. |
| External Descriptors | N-acylglycine |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 D2101468 | Certificate of Analysis | Jan 13, 2025 | N159221 |
| D2101470 | Certificate of Analysis | Jan 13, 2025 | N159221 |
| D2101471 | Certificate of Analysis | Jan 13, 2025 | N159221 |
| L2423471 | Certificate of Analysis | Dec 24, 2024 | N159221 |
| Melt Point(°C) | 138-142°C |
|---|---|
| Molecular Weight | 193.200 g/mol |
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 193.074 Da |
| Monoisotopic Mass | 193.074 Da |
| Topological Polar Surface Area | 66.400 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 227.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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. Haipeng Ye, Ji Shao, Yanpeng Shi, Siwei Tan, Kewen Su, Ling Zhang, Xiaoyue Shan. (2021) Magnetic molecularly imprinted polymers for extraction of S-phenylmercapturic acid from urine samples followed by high-performance liquid chromatography. JOURNAL OF MOLECULAR RECOGNITION, 34 (11): (e2930). [PMID:34432338] [10.1002/jmr.2930] |
| 2. Dekai Zheng, Changhao Cheng, Yanhua Tang, Zhixin Fang, Xuelian Gao, Yuchuan Chen, Qiuhong You, Kaifeng Wang, Heqi Zhou, Zhixian Lan, Jian Sun. (2024) Circulating metabolites are associated with persistent elevations of ALT in patients with chronic hepatitis B with complete viral suppression. JOURNAL OF MEDICAL VIROLOGY, 96 (6): (e29723). [PMID:38828911] [10.1002/jmv.29723] |
