3-[[5-(4-aminophenyl)-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid

C16H18N2O3 — CID 57390186

IUPAC3-[[5-(4-aminophenyl)-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid
SMILESCC(C)(COc1ccc(-c2ccc(N)cc2)cn1)C(=O)O
InChIInChI=1S/C16H18N2O3/c1-16(2,15(19)20)10-21-14-8-5-12(9-18-14)11-3-6-13(17)7-4-11/h3-9H,10,17H2,1-2H3,(H,19,20)
InChIKeyGMHMMQBKBHGGRZ-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.82
Rot. Bonds5

About 3-[[5-(4-aminophenyl)-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid

3-[[5-(4-aminophenyl)-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid (PubChem CID 57390186) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-[[5-(4-aminophenyl)-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[[5-(4-aminophenyl)-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid
PubChem CID57390186
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name3-[[5-(4-aminophenyl)-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid
SMILESCC(C)(COc1ccc(-c2ccc(N)cc2)cn1)C(=O)O
InChIInChI=1S/C16H18N2O3/c1-16(2,15(19)20)10-21-14-8-5-12(9-18-14)11-3-6-13(17)7-4-11/h3-9H,10,17H2,1-2H3,(H,19,20)
InChIKeyGMHMMQBKBHGGRZ-UHFFFAOYSA-N
XLogP2.82
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-aminophenyl)-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[[5-(4-aminophenyl)-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid (CID 57390186) is 3-[[5-(4-aminophenyl)-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[[5-(4-aminophenyl)-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[[5-(4-aminophenyl)-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid is CC(C)(COc1ccc(-c2ccc(N)cc2)cn1)C(=O)O.
What is the InChIKey of 3-[[5-(4-aminophenyl)-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid?
The InChIKey is GMHMMQBKBHGGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-16(2,15(19)20)10-21-14-8-5-12(9-18-14)11-3-6-13(17)7-4-11/h3-9H,10,17H2,1-2H3,(H,19,20).
What are the key properties of 3-[[5-(4-aminophenyl)-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid?
3-[[5-(4-aminophenyl)-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid has a molecular weight of 286.33 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-aminophenyl)-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 57390186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).