potassium 2-(6-amino-3-pyridinyl)-2-methylpropanoate

C9H11KN2O2 — CID 155859025

IUPACpotassium 2-(6-amino-3-pyridinyl)-2-methylpropanoate
SMILESCC(C)(C(=O)[O-])c1ccc(N)nc1.[K+]
InChIInChI=1S/C9H12N2O2.K/c1-9(2,8(12)13)6-3-4-7(10)11-5-6;/h3-5H,1-2H3,(H2,10,11)(H,12,13);/q;+1/p-1
InChIKeyZNKZKWGTOBIFRU-UHFFFAOYSA-M
MW218.30 g/mol
LogP-3.30
Rot. Bonds2

About potassium 2-(6-amino-3-pyridinyl)-2-methylpropanoate

potassium 2-(6-amino-3-pyridinyl)-2-methylpropanoate (PubChem CID 155859025) has the molecular formula C9H11KN2O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is potassium 2-(6-amino-3-pyridinyl)-2-methylpropanoate.

Molecular Properties

Compound Namepotassium 2-(6-amino-3-pyridinyl)-2-methylpropanoate
PubChem CID155859025
Molecular FormulaC9H11KN2O2
Molecular Weight218.30 g/mol
Exact Mass218.05
IUPAC Namepotassium 2-(6-amino-3-pyridinyl)-2-methylpropanoate
SMILESCC(C)(C(=O)[O-])c1ccc(N)nc1.[K+]
InChIInChI=1S/C9H12N2O2.K/c1-9(2,8(12)13)6-3-4-7(10)11-5-6;/h3-5H,1-2H3,(H2,10,11)(H,12,13);/q;+1/p-1
InChIKeyZNKZKWGTOBIFRU-UHFFFAOYSA-M
XLogP-3.30
TPSA79.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 5-3.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of potassium 2-(6-amino-3-pyridinyl)-2-methylpropanoate?
The IUPAC name of potassium 2-(6-amino-3-pyridinyl)-2-methylpropanoate (CID 155859025) is potassium 2-(6-amino-3-pyridinyl)-2-methylpropanoate.
What is the SMILES notation for potassium 2-(6-amino-3-pyridinyl)-2-methylpropanoate?
The canonical SMILES for potassium 2-(6-amino-3-pyridinyl)-2-methylpropanoate is CC(C)(C(=O)[O-])c1ccc(N)nc1.[K+].
What is the InChIKey of potassium 2-(6-amino-3-pyridinyl)-2-methylpropanoate?
The InChIKey is ZNKZKWGTOBIFRU-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H12N2O2.K/c1-9(2,8(12)13)6-3-4-7(10)11-5-6;/h3-5H,1-2H3,(H2,10,11)(H,12,13);/q;+1/p-1.
What are the key properties of potassium 2-(6-amino-3-pyridinyl)-2-methylpropanoate?
potassium 2-(6-amino-3-pyridinyl)-2-methylpropanoate has a molecular weight of 218.30 g/mol, XLogP of -3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(6-amino-3-pyridinyl)-2-methylpropanoate is sourced from PubChem (CID 155859025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).