methyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate

C8H11NO5 — CID 12032170

IUPACmethyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate
SMILESCOC(=O)CCC(=O)N1CCOC1=O
InChIInChI=1S/C8H11NO5/c1-13-7(11)3-2-6(10)9-4-5-14-8(9)12/h2-5H2,1H3
InChIKeyXVSLXYVWQLCFRK-UHFFFAOYSA-N
MW201.18 g/mol
LogP-0.08
Rot. Bonds3

About methyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate

methyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate (PubChem CID 12032170) has the molecular formula C8H11NO5 and a molecular weight of 201.18 g/mol. Its IUPAC name is methyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate.

Molecular Properties

Compound Namemethyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate
PubChem CID12032170
Molecular FormulaC8H11NO5
Molecular Weight201.18 g/mol
Exact Mass201.06
IUPAC Namemethyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate
SMILESCOC(=O)CCC(=O)N1CCOC1=O
InChIInChI=1S/C8H11NO5/c1-13-7(11)3-2-6(10)9-4-5-14-8(9)12/h2-5H2,1H3
InChIKeyXVSLXYVWQLCFRK-UHFFFAOYSA-N
XLogP-0.08
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate?
The IUPAC name of methyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate (CID 12032170) is methyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate.
What is the SMILES notation for methyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate?
The canonical SMILES for methyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate is COC(=O)CCC(=O)N1CCOC1=O.
What is the InChIKey of methyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate?
The InChIKey is XVSLXYVWQLCFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO5/c1-13-7(11)3-2-6(10)9-4-5-14-8(9)12/h2-5H2,1H3.
What are the key properties of methyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate?
methyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate has a molecular weight of 201.18 g/mol, XLogP of -0.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate is sourced from PubChem (CID 12032170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).