magnesium bis(2,6-dioxo-1,3-diazinane-4-carboxylate)

C10H10MgN4O8 — CID 122130903

IUPACmagnesium bis(2,6-dioxo-1,3-diazinane-4-carboxylate)
SMILESO=C1CC(C(=O)[O-])NC(=O)N1.O=C1CC(C(=O)[O-])NC(=O)N1.[Mg+2]
InChIInChI=1S/2C5H6N2O4.Mg/c2*8-3-1-2(4(9)10)6-5(11)7-3;/h2*2H,1H2,(H,9,10)(H2,6,7,8,11);/q;;+2/p-2
InChIKeyBIRBOXCHRPRKLV-UHFFFAOYSA-L
MW338.52 g/mol
LogP-5.71
Rot. Bonds2

About magnesium bis(2,6-dioxo-1,3-diazinane-4-carboxylate)

magnesium bis(2,6-dioxo-1,3-diazinane-4-carboxylate) (PubChem CID 122130903) has the molecular formula C10H10MgN4O8 and a molecular weight of 338.52 g/mol. Its IUPAC name is magnesium bis(2,6-dioxo-1,3-diazinane-4-carboxylate).

Molecular Properties

Compound Namemagnesium bis(2,6-dioxo-1,3-diazinane-4-carboxylate)
PubChem CID122130903
Molecular FormulaC10H10MgN4O8
Molecular Weight338.52 g/mol
Exact Mass338.03
IUPAC Namemagnesium bis(2,6-dioxo-1,3-diazinane-4-carboxylate)
SMILESO=C1CC(C(=O)[O-])NC(=O)N1.O=C1CC(C(=O)[O-])NC(=O)N1.[Mg+2]
InChIInChI=1S/2C5H6N2O4.Mg/c2*8-3-1-2(4(9)10)6-5(11)7-3;/h2*2H,1H2,(H,9,10)(H2,6,7,8,11);/q;;+2/p-2
InChIKeyBIRBOXCHRPRKLV-UHFFFAOYSA-L
XLogP-5.71
TPSA196.66 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 5-5.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of magnesium bis(2,6-dioxo-1,3-diazinane-4-carboxylate)?
The IUPAC name of magnesium bis(2,6-dioxo-1,3-diazinane-4-carboxylate) (CID 122130903) is magnesium bis(2,6-dioxo-1,3-diazinane-4-carboxylate).
What is the SMILES notation for magnesium bis(2,6-dioxo-1,3-diazinane-4-carboxylate)?
The canonical SMILES for magnesium bis(2,6-dioxo-1,3-diazinane-4-carboxylate) is O=C1CC(C(=O)[O-])NC(=O)N1.O=C1CC(C(=O)[O-])NC(=O)N1.[Mg+2].
What is the InChIKey of magnesium bis(2,6-dioxo-1,3-diazinane-4-carboxylate)?
The InChIKey is BIRBOXCHRPRKLV-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H6N2O4.Mg/c2*8-3-1-2(4(9)10)6-5(11)7-3;/h2*2H,1H2,(H,9,10)(H2,6,7,8,11);/q;;+2/p-2.
What are the key properties of magnesium bis(2,6-dioxo-1,3-diazinane-4-carboxylate)?
magnesium bis(2,6-dioxo-1,3-diazinane-4-carboxylate) has a molecular weight of 338.52 g/mol, XLogP of -5.71, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium bis(2,6-dioxo-1,3-diazinane-4-carboxylate) is sourced from PubChem (CID 122130903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).