(5S)-5-[(2-fluoro-5-methoxyphenyl)methyl]-5-[3-oxo-3-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propyl]pyrrolidin-2-one

C25H35FN2O3 — CID 42501088

About (5S)-5-[(2-fluoro-5-methoxyphenyl)methyl]-5-[3-oxo-3-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propyl]pyrrolidin-2-one

(5S)-5-[(2-fluoro-5-methoxyphenyl)methyl]-5-[3-oxo-3-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propyl]pyrrolidin-2-one (PubChem CID 42501088) has the molecular formula C25H35FN2O3 and a molecular weight of 430.56 g/mol. Its IUPAC name is (5S)-5-[(2-fluoro-5-methoxyphenyl)methyl]-5-[3-oxo-3-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: (5S)-5-[(2-fluoro-5-methoxyphenyl)methyl]-5-[3-oxo-3-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propyl]pyrrolidin-2-one
• PubChem CID: 42501088
• Molecular Formula: C25H35FN2O3
• Molecular Weight: 430.56 g/mol
• Exact Mass: 430.26
• IUPAC Name: (5S)-5-[(2-fluoro-5-methoxyphenyl)methyl]-5-[3-oxo-3-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propyl]pyrrolidin-2-one
• SMILES: COc1ccc(F)c(C[C@@]2(CCC(=O)N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)CCC(=O)N2)c1
• InChI: InChI=1S/C25H35FN2O3/c1-23(2)13-18-14-24(3,15-23)16-28(18)22(30)8-10-25(9-7-21(29)27-25)12-17-11-19(31-4)5-6-20(17)26/h5-6,11,18H,7-10,12-16H2,1-4H3,(H,27,29)/t18-,24-,25-/m0/s1
• InChIKey: QVDXCJMNOFMXEH-WDNCENIBSA-N
• XLogP: 4.23
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.56
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2-fluoro-5-methoxyphenyl)methyl]-5-[3-oxo-3-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propyl]pyrrolidin-2-one?

The IUPAC name of (5S)-5-[(2-fluoro-5-methoxyphenyl)methyl]-5-[3-oxo-3-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propyl]pyrrolidin-2-one (CID 42501088) is (5S)-5-[(2-fluoro-5-methoxyphenyl)methyl]-5-[3-oxo-3-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propyl]pyrrolidin-2-one.

What is the SMILES notation for (5S)-5-[(2-fluoro-5-methoxyphenyl)methyl]-5-[3-oxo-3-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propyl]pyrrolidin-2-one?

The canonical SMILES for (5S)-5-[(2-fluoro-5-methoxyphenyl)methyl]-5-[3-oxo-3-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propyl]pyrrolidin-2-one is COc1ccc(F)c(C[C@@]2(CCC(=O)N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)CCC(=O)N2)c1.

What is the InChIKey of (5S)-5-[(2-fluoro-5-methoxyphenyl)methyl]-5-[3-oxo-3-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propyl]pyrrolidin-2-one?

The InChIKey is QVDXCJMNOFMXEH-WDNCENIBSA-N. The full InChI is InChI=1S/C25H35FN2O3/c1-23(2)13-18-14-24(3,15-23)16-28(18)22(30)8-10-25(9-7-21(29)27-25)12-17-11-19(31-4)5-6-20(17)26/h5-6,11,18H,7-10,12-16H2,1-4H3,(H,27,29)/t18-,24-,25-/m0/s1.

What are the key properties of (5S)-5-[(2-fluoro-5-methoxyphenyl)methyl]-5-[3-oxo-3-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propyl]pyrrolidin-2-one?

(5S)-5-[(2-fluoro-5-methoxyphenyl)methyl]-5-[3-oxo-3-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propyl]pyrrolidin-2-one has a molecular weight of 430.56 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-[(2-fluoro-5-methoxyphenyl)methyl]-5-[3-oxo-3-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propyl]pyrrolidin-2-one is sourced from PubChem (CID 42501088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).