2-amino-3-(3-ethoxyphenoxy)benzoic acid

C15H15NO4 — CID 115547246

IUPAC2-amino-3-(3-ethoxyphenoxy)benzoic acid
SMILESCCOc1cccc(Oc2cccc(C(=O)O)c2N)c1
InChIInChI=1S/C15H15NO4/c1-2-19-10-5-3-6-11(9-10)20-13-8-4-7-12(14(13)16)15(17)18/h3-9H,2,16H2,1H3,(H,17,18)
InChIKeyGEZAUYRPWWNZMI-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.16
Rot. Bonds5

About 2-amino-3-(3-ethoxyphenoxy)benzoic acid

2-amino-3-(3-ethoxyphenoxy)benzoic acid (PubChem CID 115547246) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-amino-3-(3-ethoxyphenoxy)benzoic acid.

Molecular Properties

Compound Name2-amino-3-(3-ethoxyphenoxy)benzoic acid
PubChem CID115547246
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name2-amino-3-(3-ethoxyphenoxy)benzoic acid
SMILESCCOc1cccc(Oc2cccc(C(=O)O)c2N)c1
InChIInChI=1S/C15H15NO4/c1-2-19-10-5-3-6-11(9-10)20-13-8-4-7-12(14(13)16)15(17)18/h3-9H,2,16H2,1H3,(H,17,18)
InChIKeyGEZAUYRPWWNZMI-UHFFFAOYSA-N
XLogP3.16
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.16
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

5-amino-2-(3-ethoxyphenoxy)benzoic acid
CID 62338276
2-(3-ethoxyphenoxy)-4-methylbenzoic acid
CID 62702429
4-bromo-2-(3-ethoxyphenoxy)benzoic acid
CID 62335777
2-amino-3-(3,5-dichlorophenoxy)benzoic acid
CID 115547178
5-amino-3-chloro-2-(3-ethoxyphenoxy)benzoic acid
CID 107197815
2-amino-3-butoxybenzoic acid
CID 61039870
2-amino-3-(4-carbamoylphenoxy)benzoic acid
CID 115547056
2-(3-ethoxyphenoxy)-6-methylpyridine-3-carboxylic acid
CID 62702428
2-amino-3-octoxybenzoic acid
CID 113333300
2-[(3-ethoxyphenyl)carbamoyl]benzoic acid
CID 17098079
2-amino-3-ethoxybenzamide
CID 70121071
2-amino-3-(4-ethyl-2-methoxyphenoxy)benzoic acid
CID 107667476

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-ethoxyphenoxy)benzoic acid?
The IUPAC name of 2-amino-3-(3-ethoxyphenoxy)benzoic acid (CID 115547246) is 2-amino-3-(3-ethoxyphenoxy)benzoic acid.
What is the SMILES notation for 2-amino-3-(3-ethoxyphenoxy)benzoic acid?
The canonical SMILES for 2-amino-3-(3-ethoxyphenoxy)benzoic acid is CCOc1cccc(Oc2cccc(C(=O)O)c2N)c1.
What is the InChIKey of 2-amino-3-(3-ethoxyphenoxy)benzoic acid?
The InChIKey is GEZAUYRPWWNZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-2-19-10-5-3-6-11(9-10)20-13-8-4-7-12(14(13)16)15(17)18/h3-9H,2,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-3-(3-ethoxyphenoxy)benzoic acid?
2-amino-3-(3-ethoxyphenoxy)benzoic acid has a molecular weight of 273.29 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-ethoxyphenoxy)benzoic acid is sourced from PubChem (CID 115547246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).