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

C9H15NO4 — CID 22218639

IUPACtert-butyl 4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate
SMILESCC1C(=O)OCN1C(=O)OC(C)(C)C
InChIInChI=1S/C9H15NO4/c1-6-7(11)13-5-10(6)8(12)14-9(2,3)4/h6H,5H2,1-4H3
InChIKeyWVXNWBIDSHYNAN-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.13
Rot. Bonds

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

tert-butyl 4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate (PubChem CID 22218639) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is tert-butyl 4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate
PubChem CID22218639
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Nametert-butyl 4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate
SMILESCC1C(=O)OCN1C(=O)OC(C)(C)C
InChIInChI=1S/C9H15NO4/c1-6-7(11)13-5-10(6)8(12)14-9(2,3)4/h6H,5H2,1-4H3
InChIKeyWVXNWBIDSHYNAN-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-tert-butyl 4-methyl (4R)-2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylate
CID 688220
3-tert-Butyl 4-methyl (4S)-2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylate
CID 688221
tert-Butyl (4S)-4-isopropyl-2,5-dioxo-1,3-oxazolidin-3-carboxylate
CID 11064599
(L)-3,4-dimethyl-1,3-oxazolidine-2,5-dione
CID 54448435
3-tert-Butyl 4-methyl 2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylate
CID 5138497
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
tert-butyl (4S)-4-(isocyanatomethyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 11499705
(4S)-N-tert-butoxycarbonyl-4-methyl-5-oxazolidinone
CID 12084899
tert-Butyl 5-oxooxazolidine-3-carboxylate
CID 20628126
(4R)-3,4-dimethyl-1,3-oxazolidine-2,5-dione
CID 59001744

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl 4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate (CID 22218639) is tert-butyl 4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate is CC1C(=O)OCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate?
The InChIKey is WVXNWBIDSHYNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-6-7(11)13-5-10(6)8(12)14-9(2,3)4/h6H,5H2,1-4H3.
What are the key properties of tert-butyl 4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate?
tert-butyl 4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 201.22 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 22218639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).