2-methyl-6-oxodiazinane-4-carboxylic acid

C6H10N2O3 — CID 84650746

IUPAC2-methyl-6-oxodiazinane-4-carboxylic acid
SMILESCN1CC(C(=O)O)CC(=O)N1
InChIInChI=1S/C6H10N2O3/c1-8-3-4(6(10)11)2-5(9)7-8/h4H,2-3H2,1H3,(H,7,9)(H,10,11)
InChIKeyZUGVTRJUMCLJJP-UHFFFAOYSA-N
MW158.16 g/mol
LogP-0.95
Rot. Bonds1

About 2-methyl-6-oxodiazinane-4-carboxylic acid

2-methyl-6-oxodiazinane-4-carboxylic acid (PubChem CID 84650746) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is 2-methyl-6-oxodiazinane-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-6-oxodiazinane-4-carboxylic acid
PubChem CID84650746
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name2-methyl-6-oxodiazinane-4-carboxylic acid
SMILESCN1CC(C(=O)O)CC(=O)N1
InChIInChI=1S/C6H10N2O3/c1-8-3-4(6(10)11)2-5(9)7-8/h4H,2-3H2,1H3,(H,7,9)(H,10,11)
InChIKeyZUGVTRJUMCLJJP-UHFFFAOYSA-N
XLogP-0.95
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-oxodiazinane-4-carboxylic acid?
The IUPAC name of 2-methyl-6-oxodiazinane-4-carboxylic acid (CID 84650746) is 2-methyl-6-oxodiazinane-4-carboxylic acid.
What is the SMILES notation for 2-methyl-6-oxodiazinane-4-carboxylic acid?
The canonical SMILES for 2-methyl-6-oxodiazinane-4-carboxylic acid is CN1CC(C(=O)O)CC(=O)N1.
What is the InChIKey of 2-methyl-6-oxodiazinane-4-carboxylic acid?
The InChIKey is ZUGVTRJUMCLJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3/c1-8-3-4(6(10)11)2-5(9)7-8/h4H,2-3H2,1H3,(H,7,9)(H,10,11).
What are the key properties of 2-methyl-6-oxodiazinane-4-carboxylic acid?
2-methyl-6-oxodiazinane-4-carboxylic acid has a molecular weight of 158.16 g/mol, XLogP of -0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-oxodiazinane-4-carboxylic acid is sourced from PubChem (CID 84650746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).