2-[(4R)-4-ethyl-2,2-dimethyl-1,3-oxazolidin-4-yl]ethyl acetate

C11H21NO3 — CID 91930405

IUPAC2-[(4R)-4-ethyl-2,2-dimethyl-1,3-oxazolidin-4-yl]ethyl acetate
SMILESCC[C@@]1(CCOC(C)=O)COC(C)(C)N1
InChIInChI=1S/C11H21NO3/c1-5-11(6-7-14-9(2)13)8-15-10(3,4)12-11/h12H,5-8H2,1-4H3/t11-/m1/s1
InChIKeyOHJFJJQJAMDKFF-LLVKDONJSA-N
MW215.29 g/mol
LogP1.44
Rot. Bonds4

About 2-[(4R)-4-ethyl-2,2-dimethyl-1,3-oxazolidin-4-yl]ethyl acetate

2-[(4R)-4-ethyl-2,2-dimethyl-1,3-oxazolidin-4-yl]ethyl acetate (PubChem CID 91930405) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-[(4R)-4-ethyl-2,2-dimethyl-1,3-oxazolidin-4-yl]ethyl acetate.

Molecular Properties

Compound Name2-[(4R)-4-ethyl-2,2-dimethyl-1,3-oxazolidin-4-yl]ethyl acetate
PubChem CID91930405
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-[(4R)-4-ethyl-2,2-dimethyl-1,3-oxazolidin-4-yl]ethyl acetate
SMILESCC[C@@]1(CCOC(C)=O)COC(C)(C)N1
InChIInChI=1S/C11H21NO3/c1-5-11(6-7-14-9(2)13)8-15-10(3,4)12-11/h12H,5-8H2,1-4H3/t11-/m1/s1
InChIKeyOHJFJJQJAMDKFF-LLVKDONJSA-N
XLogP1.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-(2-Methoxyethyl)-1-oxa-4-azaspiro[4.5]decan-3-yl)ethyl acetate
CID 91930379
2-((S)-3-Methyl-1-oxa-4-azaspiro[4.5]decan-3-yl)propyl acetate
CID 91930391
2-(3-Propyl-1-oxa-4-azaspiro[4.5]decan-3-yl)ethyl acetate
CID 91930394
2-(3-Ethyl-1-oxa-4-azaspiro[4.5]decan-3-yl)ethyl acetate
CID 91930397
2-(3-Methyl-1-oxa-4-azaspiro[4.5]decan-3-yl)ethyl acetate
CID 91930400
2-[(3R)-3-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate
CID 138969293
ethyl N-(2,3-dimethyloxolan-3-yl)carbamate
CID 104467186
propan-2-yl N-(2,3-dimethyloxolan-3-yl)carbamate
CID 105661210
tert-butyl N-(3-ethyloxolan-3-yl)carbamate
CID 131181969

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-ethyl-2,2-dimethyl-1,3-oxazolidin-4-yl]ethyl acetate?
The IUPAC name of 2-[(4R)-4-ethyl-2,2-dimethyl-1,3-oxazolidin-4-yl]ethyl acetate (CID 91930405) is 2-[(4R)-4-ethyl-2,2-dimethyl-1,3-oxazolidin-4-yl]ethyl acetate.
What is the SMILES notation for 2-[(4R)-4-ethyl-2,2-dimethyl-1,3-oxazolidin-4-yl]ethyl acetate?
The canonical SMILES for 2-[(4R)-4-ethyl-2,2-dimethyl-1,3-oxazolidin-4-yl]ethyl acetate is CC[C@@]1(CCOC(C)=O)COC(C)(C)N1.
What is the InChIKey of 2-[(4R)-4-ethyl-2,2-dimethyl-1,3-oxazolidin-4-yl]ethyl acetate?
The InChIKey is OHJFJJQJAMDKFF-LLVKDONJSA-N. The full InChI is InChI=1S/C11H21NO3/c1-5-11(6-7-14-9(2)13)8-15-10(3,4)12-11/h12H,5-8H2,1-4H3/t11-/m1/s1.
What are the key properties of 2-[(4R)-4-ethyl-2,2-dimethyl-1,3-oxazolidin-4-yl]ethyl acetate?
2-[(4R)-4-ethyl-2,2-dimethyl-1,3-oxazolidin-4-yl]ethyl acetate has a molecular weight of 215.29 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-ethyl-2,2-dimethyl-1,3-oxazolidin-4-yl]ethyl acetate is sourced from PubChem (CID 91930405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).