2-[(3R)-3-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate

C13H23NO3 — CID 138969293

IUPAC2-[(3R)-3-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate
SMILESCC(=O)OCC[C@]1(C)COC2(CCCCC2)N1
InChIInChI=1S/C13H23NO3/c1-11(15)16-9-8-12(2)10-17-13(14-12)6-4-3-5-7-13/h14H,3-10H2,1-2H3/t12-/m1/s1
InChIKeyYTWYBIIRNQNPLJ-GFCCVEGCSA-N
MW241.33 g/mol
LogP1.98
Rot. Bonds3

About 2-[(3R)-3-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate

2-[(3R)-3-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate (PubChem CID 138969293) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[(3R)-3-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate.

Molecular Properties

Compound Name2-[(3R)-3-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate
PubChem CID138969293
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-[(3R)-3-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate
SMILESCC(=O)OCC[C@]1(C)COC2(CCCCC2)N1
InChIInChI=1S/C13H23NO3/c1-11(15)16-9-8-12(2)10-17-13(14-12)6-4-3-5-7-13/h14H,3-10H2,1-2H3/t12-/m1/s1
InChIKeyYTWYBIIRNQNPLJ-GFCCVEGCSA-N
XLogP1.98
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.98
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-(3-(((tert-Butyldimethylsilyl)oxy)methyl)-1-oxa-4-azaspiro[4.5]decan-3-yl)ethyl acetate
CID 91930381
Methyl 3-(2-acetoxyethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylate
CID 91930389
2-((S)-3-Methyl-1-oxa-4-azaspiro[4.5]decan-3-yl)propyl acetate
CID 91930391
2-(3-Isobutyl-1-oxa-4-azaspiro[4.5]decan-3-yl)ethyl acetate
CID 91930392
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
(R)-2-(4-ethyl-2,2-dimethyloxazolidin-4-yl)ethyl acetate
CID 91930405
(3R)-3-ethyl-3-methyl-1-oxa-4-azaspiro[4.5]decane
CID 134863791
3-Ethyl-3-methyl-1-oxa-4-azaspiro[4.5]decane
CID 141989385

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate?
The IUPAC name of 2-[(3R)-3-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate (CID 138969293) is 2-[(3R)-3-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate.
What is the SMILES notation for 2-[(3R)-3-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate?
The canonical SMILES for 2-[(3R)-3-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate is CC(=O)OCC[C@]1(C)COC2(CCCCC2)N1.
What is the InChIKey of 2-[(3R)-3-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate?
The InChIKey is YTWYBIIRNQNPLJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H23NO3/c1-11(15)16-9-8-12(2)10-17-13(14-12)6-4-3-5-7-13/h14H,3-10H2,1-2H3/t12-/m1/s1.
What are the key properties of 2-[(3R)-3-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate?
2-[(3R)-3-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate has a molecular weight of 241.33 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate is sourced from PubChem (CID 138969293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).