methyl 5-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxabicyclo[2.2.2]octan-1-yl]ethyl]-6-oxo-1,5-naphthyridine-3-carboxylate

C24H31N3O6 — CID 71152659

IUPACmethyl 5-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxabicyclo[2.2.2]octan-1-yl]ethyl]-6-oxo-1,5-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cnc2ccc(=O)n(CCC34CCC(NC(=O)OC(C)(C)C)(CC3)CO4)c2c1
InChIInChI=1S/C24H31N3O6/c1-22(2,3)33-21(30)26-23-7-9-24(10-8-23,32-15-23)11-12-27-18-13-16(20(29)31-4)14-25-17(18)5-6-19(27)28/h5-6,13-14H,7-12,15H2,1-4H3,(H,26,30)
InChIKeyKWWGTAPTQAOAIW-UHFFFAOYSA-N
MW457.53 g/mol
LogP3.18
Rot. Bonds5

About methyl 5-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxabicyclo[2.2.2]octan-1-yl]ethyl]-6-oxo-1,5-naphthyridine-3-carboxylate

methyl 5-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxabicyclo[2.2.2]octan-1-yl]ethyl]-6-oxo-1,5-naphthyridine-3-carboxylate (PubChem CID 71152659) has the molecular formula C24H31N3O6 and a molecular weight of 457.53 g/mol. Its IUPAC name is methyl 5-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxabicyclo[2.2.2]octan-1-yl]ethyl]-6-oxo-1,5-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxabicyclo[2.2.2]octan-1-yl]ethyl]-6-oxo-1,5-naphthyridine-3-carboxylate
PubChem CID71152659
Molecular FormulaC24H31N3O6
Molecular Weight457.53 g/mol
Exact Mass457.22
IUPAC Namemethyl 5-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxabicyclo[2.2.2]octan-1-yl]ethyl]-6-oxo-1,5-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cnc2ccc(=O)n(CCC34CCC(NC(=O)OC(C)(C)C)(CC3)CO4)c2c1
InChIInChI=1S/C24H31N3O6/c1-22(2,3)33-21(30)26-23-7-9-24(10-8-23,32-15-23)11-12-27-18-13-16(20(29)31-4)14-25-17(18)5-6-19(27)28/h5-6,13-14H,7-12,15H2,1-4H3,(H,26,30)
InChIKeyKWWGTAPTQAOAIW-UHFFFAOYSA-N
XLogP3.18
TPSA108.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 5-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxabicyclo[2.2.2]octan-1-yl]ethyl]-6-oxo-1,5-naphthyridine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxabicyclo[2.2.2]octan-1-yl]ethyl]-6-oxo-1,5-naphthyridine-3-carboxylate?
The IUPAC name of methyl 5-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxabicyclo[2.2.2]octan-1-yl]ethyl]-6-oxo-1,5-naphthyridine-3-carboxylate (CID 71152659) is methyl 5-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxabicyclo[2.2.2]octan-1-yl]ethyl]-6-oxo-1,5-naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 5-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxabicyclo[2.2.2]octan-1-yl]ethyl]-6-oxo-1,5-naphthyridine-3-carboxylate?
The canonical SMILES for methyl 5-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxabicyclo[2.2.2]octan-1-yl]ethyl]-6-oxo-1,5-naphthyridine-3-carboxylate is COC(=O)c1cnc2ccc(=O)n(CCC34CCC(NC(=O)OC(C)(C)C)(CC3)CO4)c2c1.
What is the InChIKey of methyl 5-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxabicyclo[2.2.2]octan-1-yl]ethyl]-6-oxo-1,5-naphthyridine-3-carboxylate?
The InChIKey is KWWGTAPTQAOAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O6/c1-22(2,3)33-21(30)26-23-7-9-24(10-8-23,32-15-23)11-12-27-18-13-16(20(29)31-4)14-25-17(18)5-6-19(27)28/h5-6,13-14H,7-12,15H2,1-4H3,(H,26,30).
What are the key properties of methyl 5-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxabicyclo[2.2.2]octan-1-yl]ethyl]-6-oxo-1,5-naphthyridine-3-carboxylate?
methyl 5-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxabicyclo[2.2.2]octan-1-yl]ethyl]-6-oxo-1,5-naphthyridine-3-carboxylate has a molecular weight of 457.53 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxabicyclo[2.2.2]octan-1-yl]ethyl]-6-oxo-1,5-naphthyridine-3-carboxylate is sourced from PubChem (CID 71152659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).