methyl 2-tert-butyl-4-oxo-1,3-oxazolidine-3-carboxylate

C9H15NO4 — CID 588942

IUPACmethyl 2-tert-butyl-4-oxo-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)N1C(=O)COC1C(C)(C)C
InChIInChI=1S/C9H15NO4/c1-9(2,3)7-10(8(12)13-4)6(11)5-14-7/h7H,5H2,1-4H3
InChIKeyGEFLNJIASDQCQK-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.98
Rot. Bonds

About methyl 2-tert-butyl-4-oxo-1,3-oxazolidine-3-carboxylate

methyl 2-tert-butyl-4-oxo-1,3-oxazolidine-3-carboxylate (PubChem CID 588942) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is methyl 2-tert-butyl-4-oxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-tert-butyl-4-oxo-1,3-oxazolidine-3-carboxylate
PubChem CID588942
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Namemethyl 2-tert-butyl-4-oxo-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)N1C(=O)COC1C(C)(C)C
InChIInChI=1S/C9H15NO4/c1-9(2,3)7-10(8(12)13-4)6(11)5-14-7/h7H,5H2,1-4H3
InChIKeyGEFLNJIASDQCQK-UHFFFAOYSA-N
XLogP0.98
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-tert-butyl-4-oxo-1,3-oxazolidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-tert-butyl-4-oxo-1,3-oxazolidine-3-carboxylate?
The IUPAC name of methyl 2-tert-butyl-4-oxo-1,3-oxazolidine-3-carboxylate (CID 588942) is methyl 2-tert-butyl-4-oxo-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for methyl 2-tert-butyl-4-oxo-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for methyl 2-tert-butyl-4-oxo-1,3-oxazolidine-3-carboxylate is COC(=O)N1C(=O)COC1C(C)(C)C.
What is the InChIKey of methyl 2-tert-butyl-4-oxo-1,3-oxazolidine-3-carboxylate?
The InChIKey is GEFLNJIASDQCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-9(2,3)7-10(8(12)13-4)6(11)5-14-7/h7H,5H2,1-4H3.
What are the key properties of methyl 2-tert-butyl-4-oxo-1,3-oxazolidine-3-carboxylate?
methyl 2-tert-butyl-4-oxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 201.22 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-tert-butyl-4-oxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 588942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).