potassium 2-anilino-2-oxoacetate

C8H6KNO3 — CID 23690423

IUPACpotassium 2-anilino-2-oxoacetate
SMILESO=C([O-])C(=O)Nc1ccccc1.[K+]
InChIInChI=1S/C8H7NO3.K/c10-7(8(11)12)9-6-4-2-1-3-5-6;/h1-5H,(H,9,10)(H,11,12);/q;+1/p-1
InChIKeyDOHGNDXCDKXFJR-UHFFFAOYSA-M
MW203.24 g/mol
LogP-3.62
Rot. Bonds1

About potassium 2-anilino-2-oxoacetate

potassium 2-anilino-2-oxoacetate (PubChem CID 23690423) has the molecular formula C8H6KNO3 and a molecular weight of 203.24 g/mol. Its IUPAC name is potassium 2-anilino-2-oxoacetate.

Molecular Properties

Compound Namepotassium 2-anilino-2-oxoacetate
PubChem CID23690423
Molecular FormulaC8H6KNO3
Molecular Weight203.24 g/mol
Exact Mass203.00
IUPAC Namepotassium 2-anilino-2-oxoacetate
SMILESO=C([O-])C(=O)Nc1ccccc1.[K+]
InChIInChI=1S/C8H7NO3.K/c10-7(8(11)12)9-6-4-2-1-3-5-6;/h1-5H,(H,9,10)(H,11,12);/q;+1/p-1
InChIKeyDOHGNDXCDKXFJR-UHFFFAOYSA-M
XLogP-3.62
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-3.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze potassium 2-anilino-2-oxoacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-anilino-3,4-dioxobutanoic acid
CID 67355795
2-anilino-N-phenylprop-2-enamide
CID 20522355
N'-hydroxy-N-phenyloxamide
CID 5008441
azane;bis(N-phenylcarbamate);platinum(4+);dichloride
CID 76684060
(Z)-2-anilinobut-2-enedioate
CID 86742823
N,N',N'-triphenyloxamide
CID 54357836
sodium anilino(oxo)methanesulfonate
CID 88638376
cobalt;N-phenylacetamide
CID 158689050
N'-(3,5-dimethylphenyl)-N-phenyloxamide
CID 44996455
4-(phenylcarbamoyl)benzoate
CID 158012761
(Z)-2-methyl-3-(methylamino)-N-phenylbut-2-enamide
CID 70960210
N'-(3-acetamidophenyl)-N-phenyloxamide
CID 45001278

Frequently Asked Questions

What is the IUPAC name of potassium 2-anilino-2-oxoacetate?
The IUPAC name of potassium 2-anilino-2-oxoacetate (CID 23690423) is potassium 2-anilino-2-oxoacetate.
What is the SMILES notation for potassium 2-anilino-2-oxoacetate?
The canonical SMILES for potassium 2-anilino-2-oxoacetate is O=C([O-])C(=O)Nc1ccccc1.[K+].
What is the InChIKey of potassium 2-anilino-2-oxoacetate?
The InChIKey is DOHGNDXCDKXFJR-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H7NO3.K/c10-7(8(11)12)9-6-4-2-1-3-5-6;/h1-5H,(H,9,10)(H,11,12);/q;+1/p-1.
What are the key properties of potassium 2-anilino-2-oxoacetate?
potassium 2-anilino-2-oxoacetate has a molecular weight of 203.24 g/mol, XLogP of -3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-anilino-2-oxoacetate is sourced from PubChem (CID 23690423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).