3-amino-5-(2-methoxy-5-methylphenyl)benzoic acid

C15H15NO3 — CID 53226231

IUPAC3-amino-5-(2-methoxy-5-methylphenyl)benzoic acid
SMILESCOc1ccc(C)cc1-c1cc(N)cc(C(=O)O)c1
InChIInChI=1S/C15H15NO3/c1-9-3-4-14(19-2)13(5-9)10-6-11(15(17)18)8-12(16)7-10/h3-8H,16H2,1-2H3,(H,17,18)
InChIKeyJPMUFLXQBNHBTM-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.95
Rot. Bonds3

About 3-amino-5-(2-methoxy-5-methylphenyl)benzoic acid

3-amino-5-(2-methoxy-5-methylphenyl)benzoic acid (PubChem CID 53226231) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-amino-5-(2-methoxy-5-methylphenyl)benzoic acid.

Molecular Properties

Compound Name3-amino-5-(2-methoxy-5-methylphenyl)benzoic acid
PubChem CID53226231
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name3-amino-5-(2-methoxy-5-methylphenyl)benzoic acid
SMILESCOc1ccc(C)cc1-c1cc(N)cc(C(=O)O)c1
InChIInChI=1S/C15H15NO3/c1-9-3-4-14(19-2)13(5-9)10-6-11(15(17)18)8-12(16)7-10/h3-8H,16H2,1-2H3,(H,17,18)
InChIKeyJPMUFLXQBNHBTM-UHFFFAOYSA-N
XLogP2.95
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-(2,5-dimethoxyphenyl)benzoic acid
CID 53227230
3-amino-5-(2-chloro-5-methoxyphenyl)benzoic acid
CID 53227480
2-[4-(2-methoxy-5-methylphenyl)phenyl]-2-methylpropanoic acid
CID 82039191
5-[5-amino-3-(3,5-dicarboxyphenyl)-2-methylphenyl]benzene-1,3-dicarboxylic acid
CID 170899747
3-(2-methoxy-5-methylphenyl)-1H-pyrrole-2-carboxylic acid
CID 82390676
3-chloro-5-(5-fluoro-2-methoxyphenyl)benzoic acid
CID 53226601
methyl 2-amino-4-(2-methoxy-5-methylphenyl)benzoate
CID 82572853
3-(2,6-dimethoxyphenyl)-5-methylbenzoic acid
CID 116810858
3-hydroxy-5-[2-methoxy-5-(trifluoromethyl)phenyl]benzoic acid
CID 53228592
6-methylazulene-2-carboxylic acid
CID 57055895
3-amino-2-(2-methoxy-5-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 82356044
3-hydroxy-5-(2-methoxyphenyl)benzoic acid
CID 53225397

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2-methoxy-5-methylphenyl)benzoic acid?
The IUPAC name of 3-amino-5-(2-methoxy-5-methylphenyl)benzoic acid (CID 53226231) is 3-amino-5-(2-methoxy-5-methylphenyl)benzoic acid.
What is the SMILES notation for 3-amino-5-(2-methoxy-5-methylphenyl)benzoic acid?
The canonical SMILES for 3-amino-5-(2-methoxy-5-methylphenyl)benzoic acid is COc1ccc(C)cc1-c1cc(N)cc(C(=O)O)c1.
What is the InChIKey of 3-amino-5-(2-methoxy-5-methylphenyl)benzoic acid?
The InChIKey is JPMUFLXQBNHBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-9-3-4-14(19-2)13(5-9)10-6-11(15(17)18)8-12(16)7-10/h3-8H,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-5-(2-methoxy-5-methylphenyl)benzoic acid?
3-amino-5-(2-methoxy-5-methylphenyl)benzoic acid has a molecular weight of 257.29 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2-methoxy-5-methylphenyl)benzoic acid is sourced from PubChem (CID 53226231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).