potassium 2-anilinoacetate

C8H8KNO2 — CID 23672325

IUPACpotassium 2-anilinoacetate
SMILESO=C([O-])CNc1ccccc1.[K+]
InChIInChI=1S/C8H9NO2.K/c10-8(11)6-9-7-4-2-1-3-5-7;/h1-5,9H,6H2,(H,10,11);/q;+1/p-1
InChIKeyJINONCVJYBHUCP-UHFFFAOYSA-M
MW189.26 g/mol
LogP-3.15
Rot. Bonds3

About potassium 2-anilinoacetate

potassium 2-anilinoacetate (PubChem CID 23672325) has the molecular formula C8H8KNO2 and a molecular weight of 189.26 g/mol. Its IUPAC name is potassium 2-anilinoacetate.

Molecular Properties

Compound Namepotassium 2-anilinoacetate
PubChem CID23672325
Molecular FormulaC8H8KNO2
Molecular Weight189.26 g/mol
Exact Mass189.02
IUPAC Namepotassium 2-anilinoacetate
SMILESO=C([O-])CNc1ccccc1.[K+]
InChIInChI=1S/C8H9NO2.K/c10-8(11)6-9-7-4-2-1-3-5-7;/h1-5,9H,6H2,(H,10,11);/q;+1/p-1
InChIKeyJINONCVJYBHUCP-UHFFFAOYSA-M
XLogP-3.15
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 5-3.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of potassium 2-anilinoacetate?
The IUPAC name of potassium 2-anilinoacetate (CID 23672325) is potassium 2-anilinoacetate.
What is the SMILES notation for potassium 2-anilinoacetate?
The canonical SMILES for potassium 2-anilinoacetate is O=C([O-])CNc1ccccc1.[K+].
What is the InChIKey of potassium 2-anilinoacetate?
The InChIKey is JINONCVJYBHUCP-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H9NO2.K/c10-8(11)6-9-7-4-2-1-3-5-7;/h1-5,9H,6H2,(H,10,11);/q;+1/p-1.
What are the key properties of potassium 2-anilinoacetate?
potassium 2-anilinoacetate has a molecular weight of 189.26 g/mol, XLogP of -3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-anilinoacetate is sourced from PubChem (CID 23672325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).