2-((2-Hydroxybenzoyl)amino)-4-methoxybenzoic acid
PubChem CID
179711
Structure
Molecular Formula
Synonyms
- 2-((2-Hydroxybenzoyl)amino)-4-methoxybenzoic acid
- 93289-90-8
- DTXSID90239367
- 2-[(2-hydroxybenzoyl)amino]-4-methoxybenzoic acid
- DTXCID10161858
Molecular Weight
287.27 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-08-09
- Modify:2025-01-18
Description
2-((2-Hydroxybenzoyl)amino)-4-methoxybenzoic acid has been reported in Dianthus caryophyllus with data available.
Chemical Structure Depiction
2-[(2-hydroxybenzoyl)amino]-4-methoxybenzoic acid
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C15H13NO5/c1-21-9-6-7-10(15(19)20)12(8-9)16-14(18)11-4-2-3-5-13(11)17/h2-8,17H,1H3,(H,16,18)(H,19,20)
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CMFFISYKULRPFB-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
COC1=CC(=C(C=C1)C(=O)O)NC(=O)C2=CC=CC=C2O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C15H13NO5
Computed by PubChem 2.2 (PubChem release 2021.10.14)
93289-90-8
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
287.27 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
3
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
287.07937252 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
287.07937252 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
95.9 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
21
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
386
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
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Similar Compounds (2D)
Similar Conformers (3D)
Same Count
The LOTUS Initiative for Open Natural Products Research: frozen dataset union wikidata (with metadata) | DOI:10.5281/zenodo.5794106
- ChemIDplus2-((2-Hydroxybenzoyl)amino)-4-methoxybenzoic acidhttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0093289908ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSTox2-((2-Hydroxybenzoyl)amino)-4-methoxybenzoic acidhttps://comptox.epa.gov/dashboard/DTXSID90239367
- Japan Chemical Substance Dictionary (Nikkaji)
- KNApSAcK Species-Metabolite DatabaseMethoxydianthramide Shttp://www.knapsackfamily.com/knapsack_core/info.php?sname=C_ID&word=C00063424
- LOTUS - the natural products occurrence databaseLICENSEThe code for LOTUS is released under the GNU General Public License v3.0.https://lotus.nprod.net/2-((2-Hydroxybenzoyl)amino)-4-methoxybenzoic acidhttps://www.wikidata.org/wiki/Q83121715LOTUS Treehttps://lotus.naturalproducts.net/
- Wikidata2-((2-Hydroxybenzoyl)amino)-4-methoxybenzoic acidhttps://www.wikidata.org/wiki/Q83121715
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
CONTENTS