ethyl 9-hydroxy-3-azabicyclo[3.3.1]nonane-1-carboxylate

C11H19NO3 — CID 155893446

IUPACethyl 9-hydroxy-3-azabicyclo[3.3.1]nonane-1-carboxylate
SMILESCCOC(=O)C12CCCC(CNC1)C2O
InChIInChI=1S/C11H19NO3/c1-2-15-10(14)11-5-3-4-8(9(11)13)6-12-7-11/h8-9,12-13H,2-7H2,1H3
InChIKeyKNXGRMAQUAEHNX-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.30
Rot. Bonds2

About ethyl 9-hydroxy-3-azabicyclo[3.3.1]nonane-1-carboxylate

ethyl 9-hydroxy-3-azabicyclo[3.3.1]nonane-1-carboxylate (PubChem CID 155893446) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is ethyl 9-hydroxy-3-azabicyclo[3.3.1]nonane-1-carboxylate.

Molecular Properties

Compound Nameethyl 9-hydroxy-3-azabicyclo[3.3.1]nonane-1-carboxylate
PubChem CID155893446
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nameethyl 9-hydroxy-3-azabicyclo[3.3.1]nonane-1-carboxylate
SMILESCCOC(=O)C12CCCC(CNC1)C2O
InChIInChI=1S/C11H19NO3/c1-2-15-10(14)11-5-3-4-8(9(11)13)6-12-7-11/h8-9,12-13H,2-7H2,1H3
InChIKeyKNXGRMAQUAEHNX-UHFFFAOYSA-N
XLogP0.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl (1S,5S)-3-ethyl-9-(methoxymethyl)-3-azabicyclo[3.3.1]nonane-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 9-hydroxy-3-azabicyclo[3.3.1]nonane-1-carboxylate?
The IUPAC name of ethyl 9-hydroxy-3-azabicyclo[3.3.1]nonane-1-carboxylate (CID 155893446) is ethyl 9-hydroxy-3-azabicyclo[3.3.1]nonane-1-carboxylate.
What is the SMILES notation for ethyl 9-hydroxy-3-azabicyclo[3.3.1]nonane-1-carboxylate?
The canonical SMILES for ethyl 9-hydroxy-3-azabicyclo[3.3.1]nonane-1-carboxylate is CCOC(=O)C12CCCC(CNC1)C2O.
What is the InChIKey of ethyl 9-hydroxy-3-azabicyclo[3.3.1]nonane-1-carboxylate?
The InChIKey is KNXGRMAQUAEHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-2-15-10(14)11-5-3-4-8(9(11)13)6-12-7-11/h8-9,12-13H,2-7H2,1H3.
What are the key properties of ethyl 9-hydroxy-3-azabicyclo[3.3.1]nonane-1-carboxylate?
ethyl 9-hydroxy-3-azabicyclo[3.3.1]nonane-1-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9-hydroxy-3-azabicyclo[3.3.1]nonane-1-carboxylate is sourced from PubChem (CID 155893446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).