ethyl 1-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-cyclopropyl-6-oxopyridine-3-carboxylate

C31H46N2O5 — CID 175292035

About ethyl 1-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-cyclopropyl-6-oxopyridine-3-carboxylate

ethyl 1-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-cyclopropyl-6-oxopyridine-3-carboxylate (PubChem CID 175292035) has the molecular formula C31H46N2O5 and a molecular weight of 526.72 g/mol. Its IUPAC name is ethyl 1-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-cyclopropyl-6-oxopyridine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 1-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-cyclopropyl-6-oxopyridine-3-carboxylate
• PubChem CID: 175292035
• Molecular Formula: C31H46N2O5
• Molecular Weight: 526.72 g/mol
• Exact Mass: 526.34
• IUPAC Name: ethyl 1-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-cyclopropyl-6-oxopyridine-3-carboxylate
• SMILES: CCOC(=O)c1cn(CC2(O)CCN(C(=O)[C@H](C)CC3CCCCC3)CC23CCCC3)c(=O)cc1C1CC1
• InChI: InChI=1S/C31H46N2O5/c1-3-38-29(36)26-19-33(27(34)18-25(26)24-11-12-24)21-31(37)15-16-32(20-30(31)13-7-8-14-30)28(35)22(2)17-23-9-5-4-6-10-23/h18-19,22-24,37H,3-17,20-21H2,1-2H3/t22-,31?/m1/s1
• InChIKey: LWYZFHUDPUSVGA-HJZHLRNFSA-N
• XLogP: 5.03
• TPSA: 88.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.72
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-cyclopropyl-6-oxopyridine-3-carboxylate?

The IUPAC name of ethyl 1-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-cyclopropyl-6-oxopyridine-3-carboxylate (CID 175292035) is ethyl 1-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-cyclopropyl-6-oxopyridine-3-carboxylate.

What is the SMILES notation for ethyl 1-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-cyclopropyl-6-oxopyridine-3-carboxylate?

The canonical SMILES for ethyl 1-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-cyclopropyl-6-oxopyridine-3-carboxylate is CCOC(=O)c1cn(CC2(O)CCN(C(=O)[C@H](C)CC3CCCCC3)CC23CCCC3)c(=O)cc1C1CC1.

What is the InChIKey of ethyl 1-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-cyclopropyl-6-oxopyridine-3-carboxylate?

The InChIKey is LWYZFHUDPUSVGA-HJZHLRNFSA-N. The full InChI is InChI=1S/C31H46N2O5/c1-3-38-29(36)26-19-33(27(34)18-25(26)24-11-12-24)21-31(37)15-16-32(20-30(31)13-7-8-14-30)28(35)22(2)17-23-9-5-4-6-10-23/h18-19,22-24,37H,3-17,20-21H2,1-2H3/t22-,31?/m1/s1.

What are the key properties of ethyl 1-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-cyclopropyl-6-oxopyridine-3-carboxylate?

ethyl 1-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-cyclopropyl-6-oxopyridine-3-carboxylate has a molecular weight of 526.72 g/mol, XLogP of 5.03, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 1-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-cyclopropyl-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 175292035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).