methyl 4-hydroxy-1-azabicyclo[3.2.1]octane-4-carboxylate

C9H15NO3 — CID 105441572

IUPACmethyl 4-hydroxy-1-azabicyclo[3.2.1]octane-4-carboxylate
SMILESCOC(=O)C1(O)CCN2CCC1C2
InChIInChI=1S/C9H15NO3/c1-13-8(11)9(12)3-5-10-4-2-7(9)6-10/h7,12H,2-6H2,1H3
InChIKeyVLZZLFNAEDVVBV-UHFFFAOYSA-N
MW185.22 g/mol
LogP-0.38
Rot. Bonds1

About methyl 4-hydroxy-1-azabicyclo[3.2.1]octane-4-carboxylate

methyl 4-hydroxy-1-azabicyclo[3.2.1]octane-4-carboxylate (PubChem CID 105441572) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl 4-hydroxy-1-azabicyclo[3.2.1]octane-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-1-azabicyclo[3.2.1]octane-4-carboxylate
PubChem CID105441572
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl 4-hydroxy-1-azabicyclo[3.2.1]octane-4-carboxylate
SMILESCOC(=O)C1(O)CCN2CCC1C2
InChIInChI=1S/C9H15NO3/c1-13-8(11)9(12)3-5-10-4-2-7(9)6-10/h7,12H,2-6H2,1H3
InChIKeyVLZZLFNAEDVVBV-UHFFFAOYSA-N
XLogP-0.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-1-azabicyclo[3.2.1]octane-4-carboxylate?
The IUPAC name of methyl 4-hydroxy-1-azabicyclo[3.2.1]octane-4-carboxylate (CID 105441572) is methyl 4-hydroxy-1-azabicyclo[3.2.1]octane-4-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-1-azabicyclo[3.2.1]octane-4-carboxylate?
The canonical SMILES for methyl 4-hydroxy-1-azabicyclo[3.2.1]octane-4-carboxylate is COC(=O)C1(O)CCN2CCC1C2.
What is the InChIKey of methyl 4-hydroxy-1-azabicyclo[3.2.1]octane-4-carboxylate?
The InChIKey is VLZZLFNAEDVVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-13-8(11)9(12)3-5-10-4-2-7(9)6-10/h7,12H,2-6H2,1H3.
What are the key properties of methyl 4-hydroxy-1-azabicyclo[3.2.1]octane-4-carboxylate?
methyl 4-hydroxy-1-azabicyclo[3.2.1]octane-4-carboxylate has a molecular weight of 185.22 g/mol, XLogP of -0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-1-azabicyclo[3.2.1]octane-4-carboxylate is sourced from PubChem (CID 105441572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).