methyl 3-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]furan-2-carboxylate

C14H19NO4 — CID 63768389

IUPACmethyl 3-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CN1C2CCC1CC(O)C2
InChIInChI=1S/C14H19NO4/c1-18-14(17)13-9(4-5-19-13)8-15-10-2-3-11(15)7-12(16)6-10/h4-5,10-12,16H,2-3,6-8H2,1H3
InChIKeyUZQFWAMCDFAZJY-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.55
Rot. Bonds3

About methyl 3-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]furan-2-carboxylate

methyl 3-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]furan-2-carboxylate (PubChem CID 63768389) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 3-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]furan-2-carboxylate
PubChem CID63768389
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 3-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CN1C2CCC1CC(O)C2
InChIInChI=1S/C14H19NO4/c1-18-14(17)13-9(4-5-19-13)8-15-10-2-3-11(15)7-12(16)6-10/h4-5,10-12,16H,2-3,6-8H2,1H3
InChIKeyUZQFWAMCDFAZJY-UHFFFAOYSA-N
XLogP1.55
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]furan-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]furan-2-carboxylate (CID 63768389) is methyl 3-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]furan-2-carboxylate is COC(=O)c1occc1CN1C2CCC1CC(O)C2.
What is the InChIKey of methyl 3-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]furan-2-carboxylate?
The InChIKey is UZQFWAMCDFAZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-18-14(17)13-9(4-5-19-13)8-15-10-2-3-11(15)7-12(16)6-10/h4-5,10-12,16H,2-3,6-8H2,1H3.
What are the key properties of methyl 3-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]furan-2-carboxylate?
methyl 3-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]furan-2-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]furan-2-carboxylate is sourced from PubChem (CID 63768389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).