methyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanoate

C11H19NO3 — CID 66391355

IUPACmethyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanoate
SMILESCOC(=O)CC(C)N1CC2CCC(C1)O2
InChIInChI=1S/C11H19NO3/c1-8(5-11(13)14-2)12-6-9-3-4-10(7-12)15-9/h8-10H,3-7H2,1-2H3
InChIKeyBPBNPKKOXDBHRN-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.80
Rot. Bonds3

About methyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanoate

methyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanoate (PubChem CID 66391355) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanoate.

Molecular Properties

Compound Namemethyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanoate
PubChem CID66391355
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanoate
SMILESCOC(=O)CC(C)N1CC2CCC(C1)O2
InChIInChI=1S/C11H19NO3/c1-8(5-11(13)14-2)12-6-9-3-4-10(7-12)15-9/h8-10H,3-7H2,1-2H3
InChIKeyBPBNPKKOXDBHRN-UHFFFAOYSA-N
XLogP0.80
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanoate?
The IUPAC name of methyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanoate (CID 66391355) is methyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanoate.
What is the SMILES notation for methyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanoate?
The canonical SMILES for methyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanoate is COC(=O)CC(C)N1CC2CCC(C1)O2.
What is the InChIKey of methyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanoate?
The InChIKey is BPBNPKKOXDBHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(5-11(13)14-2)12-6-9-3-4-10(7-12)15-9/h8-10H,3-7H2,1-2H3.
What are the key properties of methyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanoate?
methyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanoate has a molecular weight of 213.28 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanoate is sourced from PubChem (CID 66391355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).