5-[(1R)-1-hydroxy-2-[[1-hydroxy-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-8-yl]-methylamino]ethyl]-4-methyl-3H-2-benzofuran-1-one

C26H34N2O6 — CID 126565789

About 5-[(1R)-1-hydroxy-2-[[1-hydroxy-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-8-yl]-methylamino]ethyl]-4-methyl-3H-2-benzofuran-1-one

5-[(1R)-1-hydroxy-2-[[1-hydroxy-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-8-yl]-methylamino]ethyl]-4-methyl-3H-2-benzofuran-1-one (PubChem CID 126565789) has the molecular formula C26H34N2O6 and a molecular weight of 470.57 g/mol. Its IUPAC name is 5-[(1R)-1-hydroxy-2-[[1-hydroxy-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-8-yl]-methylamino]ethyl]-4-methyl-3H-2-benzofuran-1-one.

Molecular Properties

• Compound Name: 5-[(1R)-1-hydroxy-2-[[1-hydroxy-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-8-yl]-methylamino]ethyl]-4-methyl-3H-2-benzofuran-1-one
• PubChem CID: 126565789
• Molecular Formula: C26H34N2O6
• Molecular Weight: 470.57 g/mol
• Exact Mass: 470.24
• IUPAC Name: 5-[(1R)-1-hydroxy-2-[[1-hydroxy-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-8-yl]-methylamino]ethyl]-4-methyl-3H-2-benzofuran-1-one
• SMILES: CC1=C(N2CCC3(CCC(N(C)C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2O)COC1=O
• InChI: InChI=1S/C26H34N2O6/c1-15-18(4-5-19-20(15)13-33-24(19)31)22(29)12-27(3)17-6-8-26(9-7-17)10-11-28(25(26)32)21-14-34-23(30)16(21)2/h4-5,17,22,25,29,32H,6-14H2,1-3H3/t17?,22-,25?,26?/m0/s1
• InChIKey: LMSJASJWJOQEDB-GKSOKURPSA-N
• XLogP: 2.41
• TPSA: 99.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.57
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-hydroxy-2-[[1-hydroxy-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-8-yl]-methylamino]ethyl]-4-methyl-3H-2-benzofuran-1-one?

The IUPAC name of 5-[(1R)-1-hydroxy-2-[[1-hydroxy-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-8-yl]-methylamino]ethyl]-4-methyl-3H-2-benzofuran-1-one (CID 126565789) is 5-[(1R)-1-hydroxy-2-[[1-hydroxy-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-8-yl]-methylamino]ethyl]-4-methyl-3H-2-benzofuran-1-one.

What is the SMILES notation for 5-[(1R)-1-hydroxy-2-[[1-hydroxy-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-8-yl]-methylamino]ethyl]-4-methyl-3H-2-benzofuran-1-one?

The canonical SMILES for 5-[(1R)-1-hydroxy-2-[[1-hydroxy-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-8-yl]-methylamino]ethyl]-4-methyl-3H-2-benzofuran-1-one is CC1=C(N2CCC3(CCC(N(C)C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2O)COC1=O.

What is the InChIKey of 5-[(1R)-1-hydroxy-2-[[1-hydroxy-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-8-yl]-methylamino]ethyl]-4-methyl-3H-2-benzofuran-1-one?

The InChIKey is LMSJASJWJOQEDB-GKSOKURPSA-N. The full InChI is InChI=1S/C26H34N2O6/c1-15-18(4-5-19-20(15)13-33-24(19)31)22(29)12-27(3)17-6-8-26(9-7-17)10-11-28(25(26)32)21-14-34-23(30)16(21)2/h4-5,17,22,25,29,32H,6-14H2,1-3H3/t17?,22-,25?,26?/m0/s1.

What are the key properties of 5-[(1R)-1-hydroxy-2-[[1-hydroxy-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-8-yl]-methylamino]ethyl]-4-methyl-3H-2-benzofuran-1-one?

5-[(1R)-1-hydroxy-2-[[1-hydroxy-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-8-yl]-methylamino]ethyl]-4-methyl-3H-2-benzofuran-1-one has a molecular weight of 470.57 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(1R)-1-hydroxy-2-[[1-hydroxy-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-8-yl]-methylamino]ethyl]-4-methyl-3H-2-benzofuran-1-one is sourced from PubChem (CID 126565789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).