potassium 2,6-dioxo-1,3-diazinane-4-carboxylate

C5H5KN2O4 — CID 45048888

IUPACpotassium 2,6-dioxo-1,3-diazinane-4-carboxylate
SMILESO=C1CC(C(=O)[O-])NC(=O)N1.[K+]
InChIInChI=1S/C5H6N2O4.K/c8-3-1-2(4(9)10)6-5(11)7-3;/h2H,1H2,(H,9,10)(H2,6,7,8,11);/q;+1/p-1
InChIKeySRSGGWMWXVQKTC-UHFFFAOYSA-M
MW196.20 g/mol
LogP-5.66
Rot. Bonds1

About potassium 2,6-dioxo-1,3-diazinane-4-carboxylate

potassium 2,6-dioxo-1,3-diazinane-4-carboxylate (PubChem CID 45048888) has the molecular formula C5H5KN2O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is potassium 2,6-dioxo-1,3-diazinane-4-carboxylate.

Molecular Properties

Compound Namepotassium 2,6-dioxo-1,3-diazinane-4-carboxylate
PubChem CID45048888
Molecular FormulaC5H5KN2O4
Molecular Weight196.20 g/mol
Exact Mass195.99
IUPAC Namepotassium 2,6-dioxo-1,3-diazinane-4-carboxylate
SMILESO=C1CC(C(=O)[O-])NC(=O)N1.[K+]
InChIInChI=1S/C5H6N2O4.K/c8-3-1-2(4(9)10)6-5(11)7-3;/h2H,1H2,(H,9,10)(H2,6,7,8,11);/q;+1/p-1
InChIKeySRSGGWMWXVQKTC-UHFFFAOYSA-M
XLogP-5.66
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 5-5.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze potassium 2,6-dioxo-1,3-diazinane-4-carboxylate 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

magnesium bis(2,6-dioxo-1,3-diazinane-4-carboxylate)
CID 122130903
4-oxoazetidine-2-carboxylate
CID 22451625
2,6-dioxo-1,3-diazinane-4-carbothioic S-acid
CID 88617263
2,6-dioxo-1,3-diazinane-4-carboxylic acid;zinc
CID 76549402
(3-carboxy-2-hydroxypropyl)-trimethylazanium;2,6-dioxo-1,3-diazinane-4-carboxylate
CID 75110650
(6R)-6-(2-methylpropanoyl)-1,3-diazinane-2,4-dione
CID 166510821
methyl 2,6-dioxo-1,3-diazinane-4-carboxylate
CID 574666
potassium 5-oxopyrrolidine-2-carboxylate
CID 23673462
(2S)-5-oxopyrrolidine-2-carboxylate
CID 5289118
6-(piperazine-1-carbonyl)-1,3-diazinane-2,4-dione
CID 74313460
strontium bis(5-oxopyrrolidine-2-carboxylate)
CID 14559047
barium(2+);bis((2S)-5-oxopyrrolidine-2-carboxylate)
CID 14559050

Frequently Asked Questions

What is the IUPAC name of potassium 2,6-dioxo-1,3-diazinane-4-carboxylate?
The IUPAC name of potassium 2,6-dioxo-1,3-diazinane-4-carboxylate (CID 45048888) is potassium 2,6-dioxo-1,3-diazinane-4-carboxylate.
What is the SMILES notation for potassium 2,6-dioxo-1,3-diazinane-4-carboxylate?
The canonical SMILES for potassium 2,6-dioxo-1,3-diazinane-4-carboxylate is O=C1CC(C(=O)[O-])NC(=O)N1.[K+].
What is the InChIKey of potassium 2,6-dioxo-1,3-diazinane-4-carboxylate?
The InChIKey is SRSGGWMWXVQKTC-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H6N2O4.K/c8-3-1-2(4(9)10)6-5(11)7-3;/h2H,1H2,(H,9,10)(H2,6,7,8,11);/q;+1/p-1.
What are the key properties of potassium 2,6-dioxo-1,3-diazinane-4-carboxylate?
potassium 2,6-dioxo-1,3-diazinane-4-carboxylate has a molecular weight of 196.20 g/mol, XLogP of -5.66, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2,6-dioxo-1,3-diazinane-4-carboxylate is sourced from PubChem (CID 45048888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).