methyl 2-(4-acetamido-3-oxo-1,2-oxazolidin-2-yl)-5-oxooxolane-2-carboxylate

C11H14N2O7 — CID 14096185

IUPACmethyl 2-(4-acetamido-3-oxo-1,2-oxazolidin-2-yl)-5-oxooxolane-2-carboxylate
SMILESCOC(=O)C1(N2OCC(NC(C)=O)C2=O)CCC(=O)O1
InChIInChI=1S/C11H14N2O7/c1-6(14)12-7-5-19-13(9(7)16)11(10(17)18-2)4-3-8(15)20-11/h7H,3-5H2,1-2H3,(H,12,14)
InChIKeyVWUBBDCWLAXJMA-UHFFFAOYSA-N
MW286.24 g/mol
LogP-1.53
Rot. Bonds3

About methyl 2-(4-acetamido-3-oxo-1,2-oxazolidin-2-yl)-5-oxooxolane-2-carboxylate

methyl 2-(4-acetamido-3-oxo-1,2-oxazolidin-2-yl)-5-oxooxolane-2-carboxylate (PubChem CID 14096185) has the molecular formula C11H14N2O7 and a molecular weight of 286.24 g/mol. Its IUPAC name is methyl 2-(4-acetamido-3-oxo-1,2-oxazolidin-2-yl)-5-oxooxolane-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-acetamido-3-oxo-1,2-oxazolidin-2-yl)-5-oxooxolane-2-carboxylate
PubChem CID14096185
Molecular FormulaC11H14N2O7
Molecular Weight286.24 g/mol
Exact Mass286.08
IUPAC Namemethyl 2-(4-acetamido-3-oxo-1,2-oxazolidin-2-yl)-5-oxooxolane-2-carboxylate
SMILESCOC(=O)C1(N2OCC(NC(C)=O)C2=O)CCC(=O)O1
InChIInChI=1S/C11H14N2O7/c1-6(14)12-7-5-19-13(9(7)16)11(10(17)18-2)4-3-8(15)20-11/h7H,3-5H2,1-2H3,(H,12,14)
InChIKeyVWUBBDCWLAXJMA-UHFFFAOYSA-N
XLogP-1.53
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 5-1.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-acetamido-3-oxo-1,2-oxazolidin-2-yl)-5-oxooxolane-2-carboxylate?
The IUPAC name of methyl 2-(4-acetamido-3-oxo-1,2-oxazolidin-2-yl)-5-oxooxolane-2-carboxylate (CID 14096185) is methyl 2-(4-acetamido-3-oxo-1,2-oxazolidin-2-yl)-5-oxooxolane-2-carboxylate.
What is the SMILES notation for methyl 2-(4-acetamido-3-oxo-1,2-oxazolidin-2-yl)-5-oxooxolane-2-carboxylate?
The canonical SMILES for methyl 2-(4-acetamido-3-oxo-1,2-oxazolidin-2-yl)-5-oxooxolane-2-carboxylate is COC(=O)C1(N2OCC(NC(C)=O)C2=O)CCC(=O)O1.
What is the InChIKey of methyl 2-(4-acetamido-3-oxo-1,2-oxazolidin-2-yl)-5-oxooxolane-2-carboxylate?
The InChIKey is VWUBBDCWLAXJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O7/c1-6(14)12-7-5-19-13(9(7)16)11(10(17)18-2)4-3-8(15)20-11/h7H,3-5H2,1-2H3,(H,12,14).
What are the key properties of methyl 2-(4-acetamido-3-oxo-1,2-oxazolidin-2-yl)-5-oxooxolane-2-carboxylate?
methyl 2-(4-acetamido-3-oxo-1,2-oxazolidin-2-yl)-5-oxooxolane-2-carboxylate has a molecular weight of 286.24 g/mol, XLogP of -1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-acetamido-3-oxo-1,2-oxazolidin-2-yl)-5-oxooxolane-2-carboxylate is sourced from PubChem (CID 14096185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).