tert-butyl 4,4-dimethyl-5-oxo-1,3-oxazolidine-3-carboxylate

C10H17NO4 — CID 139068685

IUPACtert-butyl 4,4-dimethyl-5-oxo-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1COC(=O)C1(C)C
InChIInChI=1S/C10H17NO4/c1-9(2,3)15-8(13)11-6-14-7(12)10(11,4)5/h6H2,1-5H3
InChIKeyOZZGJAIWODIOIX-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.52
Rot. Bonds

About tert-butyl 4,4-dimethyl-5-oxo-1,3-oxazolidine-3-carboxylate

tert-butyl 4,4-dimethyl-5-oxo-1,3-oxazolidine-3-carboxylate (PubChem CID 139068685) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is tert-butyl 4,4-dimethyl-5-oxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 4,4-dimethyl-5-oxo-1,3-oxazolidine-3-carboxylate
PubChem CID139068685
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Nametert-butyl 4,4-dimethyl-5-oxo-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1COC(=O)C1(C)C
InChIInChI=1S/C10H17NO4/c1-9(2,3)15-8(13)11-6-14-7(12)10(11,4)5/h6H2,1-5H3
InChIKeyOZZGJAIWODIOIX-UHFFFAOYSA-N
XLogP1.52
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-((tert-butoxycarbonyl)(methyl)amino)acetate
CID 14018930
1-tert-butyl 5-methyl (5R)-3,3-dimethyl-1,3-azasilolidine-1,5-dicarboxylate
CID 10730990
(4S)-N-tert-Butyloxycarbonyl4-isopropyl-1,3-oxazolidin-5-one
CID 10998777
(4S)-N-tert-butoxycarbonyl-4-methyl-5-oxazolidinone
CID 12084899
tert-Butyl 5-oxooxazolidine-3-carboxylate
CID 20628126
Tert-butyl 3-fluoro-2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 11833181
Methyl 3-fluoro-2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 60031899
3-Oxazolidinecarboxylic acid, 4,4-dimethyl-, 1,1-dimethylethyl ester
CID 11769540
1-(Tert-butyl) 5-methyl (S)-3,3-dimethyl-1,3-azasilolidine-1,5-dicarboxylate
CID 10802244
(S)-tert-Butyl 4-methyl-2,5-dioxooxazolidine-3-carboxylate
CID 10976834
Tert-butyl 2,5-dioxo-1,3-oxazolidine-3-carboxylate
CID 15037821
methyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 15228381

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4,4-dimethyl-5-oxo-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl 4,4-dimethyl-5-oxo-1,3-oxazolidine-3-carboxylate (CID 139068685) is tert-butyl 4,4-dimethyl-5-oxo-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 4,4-dimethyl-5-oxo-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 4,4-dimethyl-5-oxo-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1COC(=O)C1(C)C.
What is the InChIKey of tert-butyl 4,4-dimethyl-5-oxo-1,3-oxazolidine-3-carboxylate?
The InChIKey is OZZGJAIWODIOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-9(2,3)15-8(13)11-6-14-7(12)10(11,4)5/h6H2,1-5H3.
What are the key properties of tert-butyl 4,4-dimethyl-5-oxo-1,3-oxazolidine-3-carboxylate?
tert-butyl 4,4-dimethyl-5-oxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 215.25 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4,4-dimethyl-5-oxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 139068685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).