2-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxodiazinane-4-carboxylic acid

C10H16N2O5 — CID 71757761

IUPAC2-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxodiazinane-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC(C(=O)O)CC(=O)N1
InChIInChI=1S/C10H16N2O5/c1-10(2,3)17-9(16)12-5-6(8(14)15)4-7(13)11-12/h6H,4-5H2,1-3H3,(H,11,13)(H,14,15)
InChIKeyLNQFXNNGMAYOBL-UHFFFAOYSA-N
MW244.25 g/mol
LogP0.36
Rot. Bonds1

About 2-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxodiazinane-4-carboxylic acid

2-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxodiazinane-4-carboxylic acid (PubChem CID 71757761) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxodiazinane-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxodiazinane-4-carboxylic acid
PubChem CID71757761
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxodiazinane-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC(C(=O)O)CC(=O)N1
InChIInChI=1S/C10H16N2O5/c1-10(2,3)17-9(16)12-5-6(8(14)15)4-7(13)11-12/h6H,4-5H2,1-3H3,(H,11,13)(H,14,15)
InChIKeyLNQFXNNGMAYOBL-UHFFFAOYSA-N
XLogP0.36
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxodiazinane-4-carboxylic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxodiazinane-4-carboxylic acid (CID 71757761) is 2-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxodiazinane-4-carboxylic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxodiazinane-4-carboxylic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxodiazinane-4-carboxylic acid is CC(C)(C)OC(=O)N1CC(C(=O)O)CC(=O)N1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxodiazinane-4-carboxylic acid?
The InChIKey is LNQFXNNGMAYOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5/c1-10(2,3)17-9(16)12-5-6(8(14)15)4-7(13)11-12/h6H,4-5H2,1-3H3,(H,11,13)(H,14,15).
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxodiazinane-4-carboxylic acid?
2-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxodiazinane-4-carboxylic acid has a molecular weight of 244.25 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxodiazinane-4-carboxylic acid is sourced from PubChem (CID 71757761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).