methyl 2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate

C11H19NO3 — CID 66392536

IUPACmethyl 2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate
SMILESCOC(=O)C(C)CN1CC2CCC(C1)O2
InChIInChI=1S/C11H19NO3/c1-8(11(13)14-2)5-12-6-9-3-4-10(7-12)15-9/h8-10H,3-7H2,1-2H3
InChIKeySCICYQMTSCNZDG-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.66
Rot. Bonds3

About methyl 2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate

methyl 2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate (PubChem CID 66392536) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate
PubChem CID66392536
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate
SMILESCOC(=O)C(C)CN1CC2CCC(C1)O2
InChIInChI=1S/C11H19NO3/c1-8(11(13)14-2)5-12-6-9-3-4-10(7-12)15-9/h8-10H,3-7H2,1-2H3
InChIKeySCICYQMTSCNZDG-UHFFFAOYSA-N
XLogP0.66
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 ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate?
The IUPAC name of methyl 2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate (CID 66392536) is methyl 2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate.
What is the SMILES notation for methyl 2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate?
The canonical SMILES for methyl 2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate is COC(=O)C(C)CN1CC2CCC(C1)O2.
What is the InChIKey of methyl 2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate?
The InChIKey is SCICYQMTSCNZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(11(13)14-2)5-12-6-9-3-4-10(7-12)15-9/h8-10H,3-7H2,1-2H3.
What are the key properties of methyl 2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate?
methyl 2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate has a molecular weight of 213.28 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate is sourced from PubChem (CID 66392536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).