tert-butyl 5-ethyl-2-oxo-1,3-oxazolidine-3-carboxylate

C10H17NO4 — CID 101022672

IUPACtert-butyl 5-ethyl-2-oxo-1,3-oxazolidine-3-carboxylate
SMILESCCC1CN(C(=O)OC(C)(C)C)C(=O)O1
InChIInChI=1S/C10H17NO4/c1-5-7-6-11(8(12)14-7)9(13)15-10(2,3)4/h7H,5-6H2,1-4H3
InChIKeyYIRDQJFKPUYYSZ-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.15
Rot. Bonds1

About tert-butyl 5-ethyl-2-oxo-1,3-oxazolidine-3-carboxylate

tert-butyl 5-ethyl-2-oxo-1,3-oxazolidine-3-carboxylate (PubChem CID 101022672) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is tert-butyl 5-ethyl-2-oxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-ethyl-2-oxo-1,3-oxazolidine-3-carboxylate
PubChem CID101022672
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Nametert-butyl 5-ethyl-2-oxo-1,3-oxazolidine-3-carboxylate
SMILESCCC1CN(C(=O)OC(C)(C)C)C(=O)O1
InChIInChI=1S/C10H17NO4/c1-5-7-6-11(8(12)14-7)9(13)15-10(2,3)4/h7H,5-6H2,1-4H3
InChIKeyYIRDQJFKPUYYSZ-UHFFFAOYSA-N
XLogP2.15
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

trimethyl-[[(5R)-3-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl]azanium
CID 72545096
trimethyl-[[(5S)-3-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl]azanium
CID 72545329
Tert-butyl 3-acetoxypyrrolidine-1-carboxylate
CID 13466616
3,5-Dimethyl-1,3-oxazolidin-2-one
CID 13432443
3-Oxazolidinecarboxylic acid, 2-oxo-, 1,1-dimethylethyl ester
CID 11975668
3-Butyl-5-methyl-1,3-oxazolidin-2-one
CID 13432449
Tert-butyl 3,3-dimethoxypyrrolidine-1-carboxylate
CID 14591526
tert-butyl (3R)-3-(2-fluoroethoxy)pyrrolidine-1-carboxylate
CID 86614896
tert-butyl (3S)-3-(1-fluoroethoxy)pyrrolidine-1-carboxylate
CID 134243173
Tert-butyl 3-fluoro-4-formyloxypyrrolidine-1-carboxylate
CID 137483564
Tert-butyl 2-fluoro-3-methoxypyrrolidine-1-carboxylate
CID 141455162
tert-butyl (3S,4R)-3-acetyloxy-4-fluoropyrrolidine-1-carboxylate
CID 162428795

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-ethyl-2-oxo-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl 5-ethyl-2-oxo-1,3-oxazolidine-3-carboxylate (CID 101022672) is tert-butyl 5-ethyl-2-oxo-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 5-ethyl-2-oxo-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 5-ethyl-2-oxo-1,3-oxazolidine-3-carboxylate is CCC1CN(C(=O)OC(C)(C)C)C(=O)O1.
What is the InChIKey of tert-butyl 5-ethyl-2-oxo-1,3-oxazolidine-3-carboxylate?
The InChIKey is YIRDQJFKPUYYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-5-7-6-11(8(12)14-7)9(13)15-10(2,3)4/h7H,5-6H2,1-4H3.
What are the key properties of tert-butyl 5-ethyl-2-oxo-1,3-oxazolidine-3-carboxylate?
tert-butyl 5-ethyl-2-oxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 215.25 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-ethyl-2-oxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 101022672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).