ethyl 2-(2,2,5,5-tetramethyl-3-pyrrolidin-1-yloxolan-3-yl)acetate

C16H29NO3 — CID 79934488

IUPACethyl 2-(2,2,5,5-tetramethyl-3-pyrrolidin-1-yloxolan-3-yl)acetate
SMILESCCOC(=O)CC1(N2CCCC2)CC(C)(C)OC1(C)C
InChIInChI=1S/C16H29NO3/c1-6-19-13(18)11-16(17-9-7-8-10-17)12-14(2,3)20-15(16,4)5/h6-12H2,1-5H3
InChIKeyAWOAQZIYZQQGEH-UHFFFAOYSA-N
MW283.41 g/mol
LogP2.75
Rot. Bonds4

About ethyl 2-(2,2,5,5-tetramethyl-3-pyrrolidin-1-yloxolan-3-yl)acetate

ethyl 2-(2,2,5,5-tetramethyl-3-pyrrolidin-1-yloxolan-3-yl)acetate (PubChem CID 79934488) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is ethyl 2-(2,2,5,5-tetramethyl-3-pyrrolidin-1-yloxolan-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,2,5,5-tetramethyl-3-pyrrolidin-1-yloxolan-3-yl)acetate
PubChem CID79934488
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Nameethyl 2-(2,2,5,5-tetramethyl-3-pyrrolidin-1-yloxolan-3-yl)acetate
SMILESCCOC(=O)CC1(N2CCCC2)CC(C)(C)OC1(C)C
InChIInChI=1S/C16H29NO3/c1-6-19-13(18)11-16(17-9-7-8-10-17)12-14(2,3)20-15(16,4)5/h6-12H2,1-5H3
InChIKeyAWOAQZIYZQQGEH-UHFFFAOYSA-N
XLogP2.75
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[1-(azepan-1-yl)-2,2-dimethylcyclopentyl]acetate
CID 79862178
ethyl 2-(2,4,4-trimethyl-1-piperidin-1-ylcyclopentyl)acetate
CID 106664184
ethyl 2-(4-piperidin-1-yloxan-4-yl)acetate
CID 64539283
ethyl 2-(8-pyrrolidin-1-ylspiro[4.5]decan-8-yl)acetate
CID 114820573
ethyl 2-[3-(azepan-1-yl)oxan-3-yl]acetate
CID 64528384
ethyl 2-(1-propyl-4-pyrrolidin-1-ylpiperidin-4-yl)acetate
CID 64526459
ethyl 2-(1,5-dimethyl-3-piperidin-1-ylpyrrolidin-3-yl)acetate
CID 81468053
ethyl 2-(3-pyrrolidin-1-ylthiolan-3-yl)acetate
CID 64529167
ethyl 2-(1-piperidin-1-yl-3-propan-2-ylcyclobutyl)acetate
CID 103565026
ethyl 2-[1-(azepan-1-yl)-2-methylcyclopentyl]acetate
CID 65050126
ethyl 2-(2,5-dimethyl-1-pyrrolidin-1-ylcyclohexyl)acetate
CID 64755856
ethyl 2-[(2R,6R,7R)-2-hydroxy-6,7-diphenyl-4-pyrrolidin-1-yl-2-bicyclo[2.2.2]octanyl]acetate
CID 11697757

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,2,5,5-tetramethyl-3-pyrrolidin-1-yloxolan-3-yl)acetate?
The IUPAC name of ethyl 2-(2,2,5,5-tetramethyl-3-pyrrolidin-1-yloxolan-3-yl)acetate (CID 79934488) is ethyl 2-(2,2,5,5-tetramethyl-3-pyrrolidin-1-yloxolan-3-yl)acetate.
What is the SMILES notation for ethyl 2-(2,2,5,5-tetramethyl-3-pyrrolidin-1-yloxolan-3-yl)acetate?
The canonical SMILES for ethyl 2-(2,2,5,5-tetramethyl-3-pyrrolidin-1-yloxolan-3-yl)acetate is CCOC(=O)CC1(N2CCCC2)CC(C)(C)OC1(C)C.
What is the InChIKey of ethyl 2-(2,2,5,5-tetramethyl-3-pyrrolidin-1-yloxolan-3-yl)acetate?
The InChIKey is AWOAQZIYZQQGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-6-19-13(18)11-16(17-9-7-8-10-17)12-14(2,3)20-15(16,4)5/h6-12H2,1-5H3.
What are the key properties of ethyl 2-(2,2,5,5-tetramethyl-3-pyrrolidin-1-yloxolan-3-yl)acetate?
ethyl 2-(2,2,5,5-tetramethyl-3-pyrrolidin-1-yloxolan-3-yl)acetate has a molecular weight of 283.41 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,2,5,5-tetramethyl-3-pyrrolidin-1-yloxolan-3-yl)acetate is sourced from PubChem (CID 79934488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).