3-amino-5-(2,5-dimethoxyphenyl)benzoic acid

C15H15NO4 — CID 53227230

IUPAC3-amino-5-(2,5-dimethoxyphenyl)benzoic acid
SMILESCOc1ccc(OC)c(-c2cc(N)cc(C(=O)O)c2)c1
InChIInChI=1S/C15H15NO4/c1-19-12-3-4-14(20-2)13(8-12)9-5-10(15(17)18)7-11(16)6-9/h3-8H,16H2,1-2H3,(H,17,18)
InChIKeyHVEPCAPCSORDJP-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.65
Rot. Bonds4

About 3-amino-5-(2,5-dimethoxyphenyl)benzoic acid

3-amino-5-(2,5-dimethoxyphenyl)benzoic acid (PubChem CID 53227230) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-amino-5-(2,5-dimethoxyphenyl)benzoic acid.

Molecular Properties

Compound Name3-amino-5-(2,5-dimethoxyphenyl)benzoic acid
PubChem CID53227230
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name3-amino-5-(2,5-dimethoxyphenyl)benzoic acid
SMILESCOc1ccc(OC)c(-c2cc(N)cc(C(=O)O)c2)c1
InChIInChI=1S/C15H15NO4/c1-19-12-3-4-14(20-2)13(8-12)9-5-10(15(17)18)7-11(16)6-9/h3-8H,16H2,1-2H3,(H,17,18)
InChIKeyHVEPCAPCSORDJP-UHFFFAOYSA-N
XLogP2.65
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-(2-methoxy-5-methylphenyl)benzoic acid
CID 53226231
3-amino-5-(2-chloro-5-methoxyphenyl)benzoic acid
CID 53227480
1-[3-(2,5-dimethoxyphenyl)phenyl]ethanone
CID 21460495
2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene
CID 172792841
5-(2,5-dimethoxyphenyl)pyridine-2-carboxylic acid
CID 53211472
3-fluoro-5-(2-fluoro-5-methoxyphenyl)benzoic acid
CID 53226516
3-(2,5-dimethoxyphenyl)-4-fluorobenzoic acid
CID 53227234
5-(2,5-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 53223755
3-(3-aminophenyl)-5-methoxybenzoic acid
CID 53224920
1-[3-(2,5-dimethoxyphenyl)phenyl]propan-1-one
CID 61033997
3-chloro-5-(5-fluoro-2-methoxyphenyl)benzoic acid
CID 53226601
3-hydroxy-5-[2-methoxy-5-(trifluoromethyl)phenyl]benzoic acid
CID 53228592

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2,5-dimethoxyphenyl)benzoic acid?
The IUPAC name of 3-amino-5-(2,5-dimethoxyphenyl)benzoic acid (CID 53227230) is 3-amino-5-(2,5-dimethoxyphenyl)benzoic acid.
What is the SMILES notation for 3-amino-5-(2,5-dimethoxyphenyl)benzoic acid?
The canonical SMILES for 3-amino-5-(2,5-dimethoxyphenyl)benzoic acid is COc1ccc(OC)c(-c2cc(N)cc(C(=O)O)c2)c1.
What is the InChIKey of 3-amino-5-(2,5-dimethoxyphenyl)benzoic acid?
The InChIKey is HVEPCAPCSORDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-19-12-3-4-14(20-2)13(8-12)9-5-10(15(17)18)7-11(16)6-9/h3-8H,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-5-(2,5-dimethoxyphenyl)benzoic acid?
3-amino-5-(2,5-dimethoxyphenyl)benzoic acid has a molecular weight of 273.29 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2,5-dimethoxyphenyl)benzoic acid is sourced from PubChem (CID 53227230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).