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| IUPAC Name: | 2-[(4-methylbenzoyl)amino]acetic acid |
| Description: | A substituted hippurate analog as a substrate and inhibitor of peptidylglycine α-hydroxylating monooxygenase (PHM). |
| Molecular Weight: | 193.20 |
| Molecular Formula: | C10H11NO3 |
| Canonical SMILES: | CC1=CC=C(C=C1)C(=O)NCC(=O)O |
| InChI: | InChI=1S/C10H11NO3/c1-7-2-4-8(5-3-7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13) |
| InChI Key: | NRSCPTLHWVWLLH-UHFFFAOYSA-N |
| Boiling Point: | 435.8 ℃ at 760 mmHg at 329.41 ℃ (rough estimate) |
| Melting Point: | 163-165 ℃ (lit.) |
| Purity: | > 98.0 % (HPLC) (T) |
| Density: | 1.229 g/cm3 |
| Appearance: | White to off-white solid |
| Storage: | Store at 2-8 ℃ |
| MDL: | MFCD00020449 |
| LogP: | 1.20030 |
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