N-formylanthranilic acid
PubChem CID: 101399
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2-(Formylamino)benzoic acid, 2-formamidobenzoic acid, 3342-77-6, N-formylanthranilic acid, Formylanthranilic acid, 2-formamidobenzoate, Benzoic acid, 2-(formylamino)-, Formylanthranilate, 2-(Formylamino)-benzoic acid, CHEBI:36575, NSC-509050, 6670418F9K, DTXSID70187059, ANTHRANILIC ACID, N-FORMYL-, NSC 509050, 2-(Formylamino)benzoic Acid (>90%), UNII-6670418F9K, MFCD00088808, 2-formamidobenzoicacid, N-formyl-anthranilic acid, 2-(Formylamino)-benzoate, 2-(Formylamino)benzoicacid, SCHEMBL501876, 2-(Formylamino)benzoic acid #, CHEMBL1213015, DTXCID30109550, BBL023279, NSC509050, STL068906, AKOS000504260, VS-07376, DB-202370, CS-0320340, NS00123207, C05653, G69686, Q27104373, 667-254-8 |
|---|---|
| Topological Polar Surface Area | 66.4 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 12.0 |
| Pathway Kegg Map Id | map00380 |
| Description | Formylanthranilic acid is a polar acid metabolite of anthranilic acid, occasionally found in human urine. (PMID 7320161) [HMDB] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 181.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-formamidobenzoic acid |
| Prediction Hob | 1.0 |
| Class | Benzene and substituted derivatives |
| Xlogp | 1.9 |
| Superclass | Benzenoids |
| Subclass | Benzoic acids and derivatives |
| Molecular Formula | C8H7NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LLLPDUXGHXIXIW-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Synonyms | 2-(Formylamino)-benzoate, 2-(Formylamino)-benzoic acid, 2-(formylamino)benzoate, 2-(formylamino)benzoic acid, 2-formamidobenzoate, 2-formamidobenzoic acid, Formylanthranilate, N-Formylanthranilate |
| Substituent Name | Aminobenzoic acid, Benzoic acid, Benzyl alcohol, Benzoyl, Aniline, Vinylogous amide, Secondary carboxylic acid amide, Monocarboxylic acid or derivatives, Carboxylic acid, Carboxylic acid derivative, Carboxylic acid amide, Hydrocarbon derivative, Aromatic alcohol, Organooxygen compound, Organonitrogen compound, Carbonyl group, Aromatic homomonocyclic compound |
| Compound Name | N-formylanthranilic acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 165.043 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 165.043 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 165.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8390176 |
| Inchi | InChI=1S/C8H7NO3/c10-5-9-7-4-2-1-3-6(7)8(11)12/h1-5H,(H,9,10)(H,11,12) |
| Smiles | C1=CC=C(C(=C1)C(=O)O)NC=O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Isatis Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Persicaria Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients