2-[3-(4-methoxyanilino)phenyl]acetic acid

C15H15NO3 — CID 155289963

IUPAC2-[3-(4-methoxyanilino)phenyl]acetic acid
SMILESCOc1ccc(Nc2cccc(CC(=O)O)c2)cc1
InChIInChI=1S/C15H15NO3/c1-19-14-7-5-12(6-8-14)16-13-4-2-3-11(9-13)10-15(17)18/h2-9,16H,10H2,1H3,(H,17,18)
InChIKeyXIDMRKGZSAYZKT-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.07
Rot. Bonds5

About 2-[3-(4-methoxyanilino)phenyl]acetic acid

2-[3-(4-methoxyanilino)phenyl]acetic acid (PubChem CID 155289963) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[3-(4-methoxyanilino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-methoxyanilino)phenyl]acetic acid
PubChem CID155289963
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2-[3-(4-methoxyanilino)phenyl]acetic acid
SMILESCOc1ccc(Nc2cccc(CC(=O)O)c2)cc1
InChIInChI=1S/C15H15NO3/c1-19-14-7-5-12(6-8-14)16-13-4-2-3-11(9-13)10-15(17)18/h2-9,16H,10H2,1H3,(H,17,18)
InChIKeyXIDMRKGZSAYZKT-UHFFFAOYSA-N
XLogP3.07
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(4-methylanilino)phenyl]acetic acid
CID 155290701
2-[3-(3-hydroxyanilino)phenyl]acetic acid
CID 70009460
2-[3-(methoxycarbonylamino)phenyl]acetic acid
CID 21387794
2-(3-fluorophenyl)-N-[4-(4-methoxyanilino)phenyl]acetamide
CID 112987540
2-[3-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]phenyl]acetic acid
CID 119351782
N-[4-(3-chloroanilino)phenyl]-2-(4-methoxyphenyl)acetamide
CID 112986980
3-(4-methoxyanilino)phenol
CID 15574559
2-[3-[3-(2,5-dimethoxyphenyl)propanoylamino]phenyl]acetic acid
CID 119352036
2-[3-(3-methoxyphenoxy)phenyl]acetic acid
CID 19421788
methyl 2-[4-(4-methoxyanilino)phenyl]acetate
CID 82535736
4-benzyl-N-(4-methoxyphenyl)aniline
CID 175329182
3-N-(4-methoxyphenyl)-1-N-methylbenzene-1,3-diamine
CID 117027159

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyanilino)phenyl]acetic acid?
The IUPAC name of 2-[3-(4-methoxyanilino)phenyl]acetic acid (CID 155289963) is 2-[3-(4-methoxyanilino)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(4-methoxyanilino)phenyl]acetic acid?
The canonical SMILES for 2-[3-(4-methoxyanilino)phenyl]acetic acid is COc1ccc(Nc2cccc(CC(=O)O)c2)cc1.
What is the InChIKey of 2-[3-(4-methoxyanilino)phenyl]acetic acid?
The InChIKey is XIDMRKGZSAYZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-19-14-7-5-12(6-8-14)16-13-4-2-3-11(9-13)10-15(17)18/h2-9,16H,10H2,1H3,(H,17,18).
What are the key properties of 2-[3-(4-methoxyanilino)phenyl]acetic acid?
2-[3-(4-methoxyanilino)phenyl]acetic acid has a molecular weight of 257.29 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyanilino)phenyl]acetic acid is sourced from PubChem (CID 155289963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).