tert-butyl-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid

C23H31N3O5 — CID 71151041

IUPACtert-butyl-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid
SMILESCOc1cnc2ccc(=O)n(CCC34CCC(N(C(=O)O)C(C)(C)C)(CC3)CO4)c2c1
InChIInChI=1S/C23H31N3O5/c1-21(2,3)26(20(28)29)22-7-9-23(10-8-22,31-15-22)11-12-25-18-13-16(30-4)14-24-17(18)5-6-19(25)27/h5-6,13-14H,7-12,15H2,1-4H3,(H,28,29)
InChIKeyBPSSTROJCWGKLA-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.66
Rot. Bonds5

About tert-butyl-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid

tert-butyl-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid (PubChem CID 71151041) has the molecular formula C23H31N3O5 and a molecular weight of 429.52 g/mol. Its IUPAC name is tert-butyl-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid
PubChem CID71151041
Molecular FormulaC23H31N3O5
Molecular Weight429.52 g/mol
Exact Mass429.23
IUPAC Nametert-butyl-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid
SMILESCOc1cnc2ccc(=O)n(CCC34CCC(N(C(=O)O)C(C)(C)C)(CC3)CO4)c2c1
InChIInChI=1S/C23H31N3O5/c1-21(2,3)26(20(28)29)22-7-9-23(10-8-22,31-15-22)11-12-25-18-13-16(30-4)14-24-17(18)5-6-19(25)27/h5-6,13-14H,7-12,15H2,1-4H3,(H,28,29)
InChIKeyBPSSTROJCWGKLA-UHFFFAOYSA-N
XLogP3.66
TPSA93.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid 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 tert-butyl-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid?
The IUPAC name of tert-butyl-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid (CID 71151041) is tert-butyl-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid?
The canonical SMILES for tert-butyl-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid is COc1cnc2ccc(=O)n(CCC34CCC(N(C(=O)O)C(C)(C)C)(CC3)CO4)c2c1.
What is the InChIKey of tert-butyl-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid?
The InChIKey is BPSSTROJCWGKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O5/c1-21(2,3)26(20(28)29)22-7-9-23(10-8-22,31-15-22)11-12-25-18-13-16(30-4)14-24-17(18)5-6-19(25)27/h5-6,13-14H,7-12,15H2,1-4H3,(H,28,29).
What are the key properties of tert-butyl-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid?
tert-butyl-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid has a molecular weight of 429.52 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid is sourced from PubChem (CID 71151041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).