3-(2-methoxyanilino)benzoic acid

C14H13NO3 — CID 70690231

IUPAC3-(2-methoxyanilino)benzoic acid
SMILESCOc1ccccc1Nc1cccc(C(=O)O)c1
InChIInChI=1S/C14H13NO3/c1-18-13-8-3-2-7-12(13)15-11-6-4-5-10(9-11)14(16)17/h2-9,15H,1H3,(H,16,17)
InChIKeyUVEXVVVQJUSQAM-UHFFFAOYSA-N
MW243.26 g/mol
LogP3.14
Rot. Bonds4

About 3-(2-methoxyanilino)benzoic acid

3-(2-methoxyanilino)benzoic acid (PubChem CID 70690231) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 3-(2-methoxyanilino)benzoic acid.

Molecular Properties

Compound Name3-(2-methoxyanilino)benzoic acid
PubChem CID70690231
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name3-(2-methoxyanilino)benzoic acid
SMILESCOc1ccccc1Nc1cccc(C(=O)O)c1
InChIInChI=1S/C14H13NO3/c1-18-13-8-3-2-7-12(13)15-11-6-4-5-10(9-11)14(16)17/h2-9,15H,1H3,(H,16,17)
InChIKeyUVEXVVVQJUSQAM-UHFFFAOYSA-N
XLogP3.14
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyanilino)benzoic acid?
The IUPAC name of 3-(2-methoxyanilino)benzoic acid (CID 70690231) is 3-(2-methoxyanilino)benzoic acid.
What is the SMILES notation for 3-(2-methoxyanilino)benzoic acid?
The canonical SMILES for 3-(2-methoxyanilino)benzoic acid is COc1ccccc1Nc1cccc(C(=O)O)c1.
What is the InChIKey of 3-(2-methoxyanilino)benzoic acid?
The InChIKey is UVEXVVVQJUSQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-18-13-8-3-2-7-12(13)15-11-6-4-5-10(9-11)14(16)17/h2-9,15H,1H3,(H,16,17).
What are the key properties of 3-(2-methoxyanilino)benzoic acid?
3-(2-methoxyanilino)benzoic acid has a molecular weight of 243.26 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyanilino)benzoic acid is sourced from PubChem (CID 70690231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).