Showing Metabocard for N-malonylanthranilate (BASm0000772)
| Common Name | N-malonylanthranilate |
|---|---|
| Description | 2-(Malonylamino)benzoic acid is found in nuts. 2-(Malonylamino)benzoic acid is isolated from the leaves of the peanut (Arachis hypogaea). |
| Structure | |
| Molecular Formula | C10H9NO5 |
| Average Mass | 223.18220 |
| Monoisotopic Mass | 223.04807 |
| IUPAC Name | 2-(2-carboxyacetamido)benzoic acid |
| Traditional Name | N-malonylanthranilic acid |
| CAS Registry Number | 53947-84-5 |
| SMILES | O=C([O-])CC(=O)Nc1ccccc1C(=O)[O-] |
| InChI Identifier | InChI=1S/C10H9NO5/c12-8(5-9(13)14)11-7-4-2-1-3-6(7)10(15)16/h1-4H,5H2,(H,11,12)(H,13,14)(H,15,16) |
| InChI Key | ZDSSCYCDBASEJQ-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:16872 |
| HMDB ID | HMDB0039495 |
| State | Solid |
| Water Solubility | 1.34e+00 g/l |
| logP | 0.26 |
| logS | -2.22 |
| pKa (Strongest Acidic) | 3.19 |
| pKa (Strongest Basic) | -7.88 |
| Hydrogen Acceptor Count | 5 |
| Hydrogen Donor Count | 3 |
| Polar Surface Area | 103.7 Ų |
| Rotatable Bond Count | 4 |
| Physiological Charge | -2 |
| Formal Charge | 0 |
| Refractivity | 54.52 m³·mol⁻¹ |
| Polarizability | 20.38 |