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

C12H21NO3 — CID 79619972

IUPACmethyl 2,2-dimethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate
SMILESCOC(=O)C(C)(C)CN1CC2CCC(C1)O2
InChIInChI=1S/C12H21NO3/c1-12(2,11(14)15-3)8-13-6-9-4-5-10(7-13)16-9/h9-10H,4-8H2,1-3H3
InChIKeyHWGKVDCOSWBWOZ-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.05
Rot. Bonds3

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

methyl 2,2-dimethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate (PubChem CID 79619972) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate
PubChem CID79619972
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Namemethyl 2,2-dimethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate
SMILESCOC(=O)C(C)(C)CN1CC2CCC(C1)O2
InChIInChI=1S/C12H21NO3/c1-12(2,11(14)15-3)8-13-6-9-4-5-10(7-13)16-9/h9-10H,4-8H2,1-3H3
InChIKeyHWGKVDCOSWBWOZ-UHFFFAOYSA-N
XLogP1.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate?
The IUPAC name of methyl 2,2-dimethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate (CID 79619972) is methyl 2,2-dimethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate.
What is the SMILES notation for methyl 2,2-dimethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate?
The canonical SMILES for methyl 2,2-dimethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate is COC(=O)C(C)(C)CN1CC2CCC(C1)O2.
What is the InChIKey of methyl 2,2-dimethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate?
The InChIKey is HWGKVDCOSWBWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-12(2,11(14)15-3)8-13-6-9-4-5-10(7-13)16-9/h9-10H,4-8H2,1-3H3.
What are the key properties of methyl 2,2-dimethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate?
methyl 2,2-dimethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate has a molecular weight of 227.30 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate is sourced from PubChem (CID 79619972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).