3-methyl-4-(1-methylsulfonylpropan-2-ylcarbamoylamino)oxolane-3-carboxylic acid

C11H20N2O6S — CID 66249786

IUPAC3-methyl-4-(1-methylsulfonylpropan-2-ylcarbamoylamino)oxolane-3-carboxylic acid
SMILESCC(CS(C)(=O)=O)NC(=O)NC1COCC1(C)C(=O)O
InChIInChI=1S/C11H20N2O6S/c1-7(5-20(3,17)18)12-10(16)13-8-4-19-6-11(8,2)9(14)15/h7-8H,4-6H2,1-3H3,(H,14,15)(H2,12,13,16)
InChIKeyQEUHLYICUYQYEL-UHFFFAOYSA-N
MW308.36 g/mol
LogP-0.79
Rot. Bonds5

About 3-methyl-4-(1-methylsulfonylpropan-2-ylcarbamoylamino)oxolane-3-carboxylic acid

3-methyl-4-(1-methylsulfonylpropan-2-ylcarbamoylamino)oxolane-3-carboxylic acid (PubChem CID 66249786) has the molecular formula C11H20N2O6S and a molecular weight of 308.36 g/mol. Its IUPAC name is 3-methyl-4-(1-methylsulfonylpropan-2-ylcarbamoylamino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-4-(1-methylsulfonylpropan-2-ylcarbamoylamino)oxolane-3-carboxylic acid
PubChem CID66249786
Molecular FormulaC11H20N2O6S
Molecular Weight308.36 g/mol
Exact Mass308.10
IUPAC Name3-methyl-4-(1-methylsulfonylpropan-2-ylcarbamoylamino)oxolane-3-carboxylic acid
SMILESCC(CS(C)(=O)=O)NC(=O)NC1COCC1(C)C(=O)O
InChIInChI=1S/C11H20N2O6S/c1-7(5-20(3,17)18)12-10(16)13-8-4-19-6-11(8,2)9(14)15/h7-8H,4-6H2,1-3H3,(H,14,15)(H2,12,13,16)
InChIKeyQEUHLYICUYQYEL-UHFFFAOYSA-N
XLogP-0.79
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(1-methylsulfonylpropan-2-ylcarbamoylamino)oxolane-3-carboxylic acid?
The IUPAC name of 3-methyl-4-(1-methylsulfonylpropan-2-ylcarbamoylamino)oxolane-3-carboxylic acid (CID 66249786) is 3-methyl-4-(1-methylsulfonylpropan-2-ylcarbamoylamino)oxolane-3-carboxylic acid.
What is the SMILES notation for 3-methyl-4-(1-methylsulfonylpropan-2-ylcarbamoylamino)oxolane-3-carboxylic acid?
The canonical SMILES for 3-methyl-4-(1-methylsulfonylpropan-2-ylcarbamoylamino)oxolane-3-carboxylic acid is CC(CS(C)(=O)=O)NC(=O)NC1COCC1(C)C(=O)O.
What is the InChIKey of 3-methyl-4-(1-methylsulfonylpropan-2-ylcarbamoylamino)oxolane-3-carboxylic acid?
The InChIKey is QEUHLYICUYQYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O6S/c1-7(5-20(3,17)18)12-10(16)13-8-4-19-6-11(8,2)9(14)15/h7-8H,4-6H2,1-3H3,(H,14,15)(H2,12,13,16).
What are the key properties of 3-methyl-4-(1-methylsulfonylpropan-2-ylcarbamoylamino)oxolane-3-carboxylic acid?
3-methyl-4-(1-methylsulfonylpropan-2-ylcarbamoylamino)oxolane-3-carboxylic acid has a molecular weight of 308.36 g/mol, XLogP of -0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(1-methylsulfonylpropan-2-ylcarbamoylamino)oxolane-3-carboxylic acid is sourced from PubChem (CID 66249786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).