2-[(6-amino-3-pyridinyl)oxy]-2-methylpropanoic acid

C9H12N2O3 — CID 141325431

IUPAC2-[(6-amino-3-pyridinyl)oxy]-2-methylpropanoic acid
SMILESCC(C)(Oc1ccc(N)nc1)C(=O)O
InChIInChI=1S/C9H12N2O3/c1-9(2,8(12)13)14-6-3-4-7(10)11-5-6/h3-5H,1-2H3,(H2,10,11)(H,12,13)
InChIKeyJJXQQLFQIVYAQV-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.91
Rot. Bonds3

About 2-[(6-amino-3-pyridinyl)oxy]-2-methylpropanoic acid

2-[(6-amino-3-pyridinyl)oxy]-2-methylpropanoic acid (PubChem CID 141325431) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-[(6-amino-3-pyridinyl)oxy]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(6-amino-3-pyridinyl)oxy]-2-methylpropanoic acid
PubChem CID141325431
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-[(6-amino-3-pyridinyl)oxy]-2-methylpropanoic acid
SMILESCC(C)(Oc1ccc(N)nc1)C(=O)O
InChIInChI=1S/C9H12N2O3/c1-9(2,8(12)13)14-6-3-4-7(10)11-5-6/h3-5H,1-2H3,(H2,10,11)(H,12,13)
InChIKeyJJXQQLFQIVYAQV-UHFFFAOYSA-N
XLogP0.91
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3-pyridinyl)oxy]-2-methylpropanoic acid?
The IUPAC name of 2-[(6-amino-3-pyridinyl)oxy]-2-methylpropanoic acid (CID 141325431) is 2-[(6-amino-3-pyridinyl)oxy]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(6-amino-3-pyridinyl)oxy]-2-methylpropanoic acid?
The canonical SMILES for 2-[(6-amino-3-pyridinyl)oxy]-2-methylpropanoic acid is CC(C)(Oc1ccc(N)nc1)C(=O)O.
What is the InChIKey of 2-[(6-amino-3-pyridinyl)oxy]-2-methylpropanoic acid?
The InChIKey is JJXQQLFQIVYAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-9(2,8(12)13)14-6-3-4-7(10)11-5-6/h3-5H,1-2H3,(H2,10,11)(H,12,13).
What are the key properties of 2-[(6-amino-3-pyridinyl)oxy]-2-methylpropanoic acid?
2-[(6-amino-3-pyridinyl)oxy]-2-methylpropanoic acid has a molecular weight of 196.21 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-3-pyridinyl)oxy]-2-methylpropanoic acid is sourced from PubChem (CID 141325431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).