2,6-dioxo-1,3-diazinane-4-carboxylic acid;zinc

C5H6N2O4Zn — CID 76549402

IUPAC2,6-dioxo-1,3-diazinane-4-carboxylic acid;zinc
SMILESO=C1CC(C(=O)O)NC(=O)N1.[Zn]
InChIInChI=1S/C5H6N2O4.Zn/c8-3-1-2(4(9)10)6-5(11)7-3;/h2H,1H2,(H,9,10)(H2,6,7,8,11);
InChIKeyQMDHPNNAXQEDEA-UHFFFAOYSA-N
MW223.50 g/mol
LogP-1.33
Rot. Bonds1

About 2,6-dioxo-1,3-diazinane-4-carboxylic acid;zinc

2,6-dioxo-1,3-diazinane-4-carboxylic acid;zinc (PubChem CID 76549402) has the molecular formula C5H6N2O4Zn and a molecular weight of 223.50 g/mol. Its IUPAC name is 2,6-dioxo-1,3-diazinane-4-carboxylic acid;zinc.

Molecular Properties

Compound Name2,6-dioxo-1,3-diazinane-4-carboxylic acid;zinc
PubChem CID76549402
Molecular FormulaC5H6N2O4Zn
Molecular Weight223.50 g/mol
Exact Mass221.96
IUPAC Name2,6-dioxo-1,3-diazinane-4-carboxylic acid;zinc
SMILESO=C1CC(C(=O)O)NC(=O)N1.[Zn]
InChIInChI=1S/C5H6N2O4.Zn/c8-3-1-2(4(9)10)6-5(11)7-3;/h2H,1H2,(H,9,10)(H2,6,7,8,11);
InChIKeyQMDHPNNAXQEDEA-UHFFFAOYSA-N
XLogP-1.33
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.50
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dioxo-1,3-diazinane-4-carboxylic acid;zinc?
The IUPAC name of 2,6-dioxo-1,3-diazinane-4-carboxylic acid;zinc (CID 76549402) is 2,6-dioxo-1,3-diazinane-4-carboxylic acid;zinc.
What is the SMILES notation for 2,6-dioxo-1,3-diazinane-4-carboxylic acid;zinc?
The canonical SMILES for 2,6-dioxo-1,3-diazinane-4-carboxylic acid;zinc is O=C1CC(C(=O)O)NC(=O)N1.[Zn].
What is the InChIKey of 2,6-dioxo-1,3-diazinane-4-carboxylic acid;zinc?
The InChIKey is QMDHPNNAXQEDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O4.Zn/c8-3-1-2(4(9)10)6-5(11)7-3;/h2H,1H2,(H,9,10)(H2,6,7,8,11);.
What are the key properties of 2,6-dioxo-1,3-diazinane-4-carboxylic acid;zinc?
2,6-dioxo-1,3-diazinane-4-carboxylic acid;zinc has a molecular weight of 223.50 g/mol, XLogP of -1.33, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dioxo-1,3-diazinane-4-carboxylic acid;zinc is sourced from PubChem (CID 76549402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).