methyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-1-carboxylate

C10H17NO3 — CID 557647

IUPACmethyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-1-carboxylate
SMILESCOC(=O)C12CCC(CC(O)C1)N2C
InChIInChI=1S/C10H17NO3/c1-11-7-3-4-10(11,9(13)14-2)6-8(12)5-7/h7-8,12H,3-6H2,1-2H3
InChIKeyXTSCVMBKKFMLQC-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.15
Rot. Bonds1

About methyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-1-carboxylate

methyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-1-carboxylate (PubChem CID 557647) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is methyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-1-carboxylate
PubChem CID557647
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namemethyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-1-carboxylate
SMILESCOC(=O)C12CCC(CC(O)C1)N2C
InChIInChI=1S/C10H17NO3/c1-11-7-3-4-10(11,9(13)14-2)6-8(12)5-7/h7-8,12H,3-6H2,1-2H3
InChIKeyXTSCVMBKKFMLQC-UHFFFAOYSA-N
XLogP0.15
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-1-carboxylate?
The IUPAC name of methyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-1-carboxylate (CID 557647) is methyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-1-carboxylate.
What is the SMILES notation for methyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-1-carboxylate?
The canonical SMILES for methyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-1-carboxylate is COC(=O)C12CCC(CC(O)C1)N2C.
What is the InChIKey of methyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-1-carboxylate?
The InChIKey is XTSCVMBKKFMLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-11-7-3-4-10(11,9(13)14-2)6-8(12)5-7/h7-8,12H,3-6H2,1-2H3.
What are the key properties of methyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-1-carboxylate?
methyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-1-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-1-carboxylate is sourced from PubChem (CID 557647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).