2-amino-3-(4-ethyl-2-methoxyphenoxy)benzoic acid

C16H17NO4 — CID 107667476

IUPAC2-amino-3-(4-ethyl-2-methoxyphenoxy)benzoic acid
SMILESCCc1ccc(Oc2cccc(C(=O)O)c2N)c(OC)c1
InChIInChI=1S/C16H17NO4/c1-3-10-7-8-12(14(9-10)20-2)21-13-6-4-5-11(15(13)17)16(18)19/h4-9H,3,17H2,1-2H3,(H,18,19)
InChIKeyGYZPCZRFOXXYOI-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.33
Rot. Bonds5

About 2-amino-3-(4-ethyl-2-methoxyphenoxy)benzoic acid

2-amino-3-(4-ethyl-2-methoxyphenoxy)benzoic acid (PubChem CID 107667476) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-amino-3-(4-ethyl-2-methoxyphenoxy)benzoic acid.

Molecular Properties

Compound Name2-amino-3-(4-ethyl-2-methoxyphenoxy)benzoic acid
PubChem CID107667476
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name2-amino-3-(4-ethyl-2-methoxyphenoxy)benzoic acid
SMILESCCc1ccc(Oc2cccc(C(=O)O)c2N)c(OC)c1
InChIInChI=1S/C16H17NO4/c1-3-10-7-8-12(14(9-10)20-2)21-13-6-4-5-11(15(13)17)16(18)19/h4-9H,3,17H2,1-2H3,(H,18,19)
InChIKeyGYZPCZRFOXXYOI-UHFFFAOYSA-N
XLogP3.33
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.33
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

4-(4-ethyl-2-methoxyphenoxy)pyridine-3-carboxylic acid
CID 107664132
4-ethyl-2-methoxybenzoic acid
CID 18687349
5-ethyl-2-methoxybenzoic acid
CID 20721149
3-amino-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzoic acid
CID 107744126
2-(4-ethyl-2-methoxyphenoxy)-6-methylpyridine-3-carboxylic acid
CID 107668753
1-[2-(4-ethyl-2-methoxyphenoxy)-6-fluorophenyl]ethanone
CID 107665218
2-amino-3-(3-ethoxyphenoxy)benzoic acid
CID 115547246
2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzamide
CID 107743803
2-amino-3-(2,4-dichlorophenoxy)benzoic acid
CID 113333260
2-amino-3-(2,6-dimethoxybenzoyl)benzoic acid
CID 67694082
2-(4-ethyl-2-methoxyphenoxy)-5-fluorobenzenecarbothioamide
CID 107664916
1-[3-(4-ethyl-2-methoxyphenoxy)phenyl]ethanone
CID 107665209

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-ethyl-2-methoxyphenoxy)benzoic acid?
The IUPAC name of 2-amino-3-(4-ethyl-2-methoxyphenoxy)benzoic acid (CID 107667476) is 2-amino-3-(4-ethyl-2-methoxyphenoxy)benzoic acid.
What is the SMILES notation for 2-amino-3-(4-ethyl-2-methoxyphenoxy)benzoic acid?
The canonical SMILES for 2-amino-3-(4-ethyl-2-methoxyphenoxy)benzoic acid is CCc1ccc(Oc2cccc(C(=O)O)c2N)c(OC)c1.
What is the InChIKey of 2-amino-3-(4-ethyl-2-methoxyphenoxy)benzoic acid?
The InChIKey is GYZPCZRFOXXYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-3-10-7-8-12(14(9-10)20-2)21-13-6-4-5-11(15(13)17)16(18)19/h4-9H,3,17H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-3-(4-ethyl-2-methoxyphenoxy)benzoic acid?
2-amino-3-(4-ethyl-2-methoxyphenoxy)benzoic acid has a molecular weight of 287.32 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-ethyl-2-methoxyphenoxy)benzoic acid is sourced from PubChem (CID 107667476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).