tert-butyl 2,5-dioxo-1,3-oxazolidine-3-carboxylate

C8H11NO5 — CID 15037821

IUPACtert-butyl 2,5-dioxo-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(=O)OC1=O
InChIInChI=1S/C8H11NO5/c1-8(2,3)14-7(12)9-4-5(10)13-6(9)11/h4H2,1-3H3
InChIKeyMTEOSPVWMLTGFN-UHFFFAOYSA-N
MW201.18 g/mol
LogP0.90
Rot. Bonds

About tert-butyl 2,5-dioxo-1,3-oxazolidine-3-carboxylate

tert-butyl 2,5-dioxo-1,3-oxazolidine-3-carboxylate (PubChem CID 15037821) has the molecular formula C8H11NO5 and a molecular weight of 201.18 g/mol. Its IUPAC name is tert-butyl 2,5-dioxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,5-dioxo-1,3-oxazolidine-3-carboxylate
PubChem CID15037821
Molecular FormulaC8H11NO5
Molecular Weight201.18 g/mol
Exact Mass201.06
IUPAC Nametert-butyl 2,5-dioxo-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(=O)OC1=O
InChIInChI=1S/C8H11NO5/c1-8(2,3)14-7(12)9-4-5(10)13-6(9)11/h4H2,1-3H3
InChIKeyMTEOSPVWMLTGFN-UHFFFAOYSA-N
XLogP0.90
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,5-dioxo-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl 2,5-dioxo-1,3-oxazolidine-3-carboxylate (CID 15037821) is tert-butyl 2,5-dioxo-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 2,5-dioxo-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 2,5-dioxo-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1CC(=O)OC1=O.
What is the InChIKey of tert-butyl 2,5-dioxo-1,3-oxazolidine-3-carboxylate?
The InChIKey is MTEOSPVWMLTGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO5/c1-8(2,3)14-7(12)9-4-5(10)13-6(9)11/h4H2,1-3H3.
What are the key properties of tert-butyl 2,5-dioxo-1,3-oxazolidine-3-carboxylate?
tert-butyl 2,5-dioxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 201.18 g/mol, XLogP of 0.90, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,5-dioxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 15037821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).