oxolan-2-ylmethyl 2-(8-azabicyclo[3.2.1]octan-3-yl)acetate

C14H23NO3 — CID 79609187

IUPACoxolan-2-ylmethyl 2-(8-azabicyclo[3.2.1]octan-3-yl)acetate
SMILESO=C(CC1CC2CCC(C1)N2)OCC1CCCO1
InChIInChI=1S/C14H23NO3/c16-14(18-9-13-2-1-5-17-13)8-10-6-11-3-4-12(7-10)15-11/h10-13,15H,1-9H2
InChIKeyNFQOYXQZKOWDOB-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.63
Rot. Bonds4

About oxolan-2-ylmethyl 2-(8-azabicyclo[3.2.1]octan-3-yl)acetate

oxolan-2-ylmethyl 2-(8-azabicyclo[3.2.1]octan-3-yl)acetate (PubChem CID 79609187) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is oxolan-2-ylmethyl 2-(8-azabicyclo[3.2.1]octan-3-yl)acetate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 2-(8-azabicyclo[3.2.1]octan-3-yl)acetate
PubChem CID79609187
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Nameoxolan-2-ylmethyl 2-(8-azabicyclo[3.2.1]octan-3-yl)acetate
SMILESO=C(CC1CC2CCC(C1)N2)OCC1CCCO1
InChIInChI=1S/C14H23NO3/c16-14(18-9-13-2-1-5-17-13)8-10-6-11-3-4-12(7-10)15-11/h10-13,15H,1-9H2
InChIKeyNFQOYXQZKOWDOB-UHFFFAOYSA-N
XLogP1.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

oxan-2-ylmethyl 2-cyclopentylacetate
CID 78788812
[(2R)-oxolan-2-yl]methyl propanoate
CID 36691172
3-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octane
CID 126845754
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]ethanone;hydrochloride
CID 119815509
oxolan-2-ylmethyl 3-aminopropanoate
CID 22321347
oxan-2-ylmethyl 3-(oxolan-2-ylmethoxy)propanoate
CID 78885532
oxolan-2-ylmethyl 2-(prop-2-enylamino)acetate
CID 79277559
cyclopentyl 2-(8-azabicyclo[3.2.1]octan-3-yl)acetate
CID 79609107
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]acetamide;hydrochloride
CID 119743213
oxolan-2-ylmethyl 5-hydroxy-4-oxopentanoate
CID 174653429
oxolan-2-ylmethyl 2-(3-methylazetidin-3-yl)oxyacetate
CID 102658397
2-oxo-2-(oxolan-2-ylmethoxy)acetic acid
CID 154107225

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 2-(8-azabicyclo[3.2.1]octan-3-yl)acetate?
The IUPAC name of oxolan-2-ylmethyl 2-(8-azabicyclo[3.2.1]octan-3-yl)acetate (CID 79609187) is oxolan-2-ylmethyl 2-(8-azabicyclo[3.2.1]octan-3-yl)acetate.
What is the SMILES notation for oxolan-2-ylmethyl 2-(8-azabicyclo[3.2.1]octan-3-yl)acetate?
The canonical SMILES for oxolan-2-ylmethyl 2-(8-azabicyclo[3.2.1]octan-3-yl)acetate is O=C(CC1CC2CCC(C1)N2)OCC1CCCO1.
What is the InChIKey of oxolan-2-ylmethyl 2-(8-azabicyclo[3.2.1]octan-3-yl)acetate?
The InChIKey is NFQOYXQZKOWDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c16-14(18-9-13-2-1-5-17-13)8-10-6-11-3-4-12(7-10)15-11/h10-13,15H,1-9H2.
What are the key properties of oxolan-2-ylmethyl 2-(8-azabicyclo[3.2.1]octan-3-yl)acetate?
oxolan-2-ylmethyl 2-(8-azabicyclo[3.2.1]octan-3-yl)acetate has a molecular weight of 253.34 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 2-(8-azabicyclo[3.2.1]octan-3-yl)acetate is sourced from PubChem (CID 79609187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).