ethyl (3R,4R)-1-benzyl-8-(3,3-dimethylbutanoyl)-3-hydroxy-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate

C24H34N2O5 — CID 134786359

About ethyl (3R,4R)-1-benzyl-8-(3,3-dimethylbutanoyl)-3-hydroxy-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate

ethyl (3R,4R)-1-benzyl-8-(3,3-dimethylbutanoyl)-3-hydroxy-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate (PubChem CID 134786359) has the molecular formula C24H34N2O5 and a molecular weight of 430.55 g/mol. Its IUPAC name is ethyl (3R,4R)-1-benzyl-8-(3,3-dimethylbutanoyl)-3-hydroxy-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate.

Molecular Properties

• Compound Name: ethyl (3R,4R)-1-benzyl-8-(3,3-dimethylbutanoyl)-3-hydroxy-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
• PubChem CID: 134786359
• Molecular Formula: C24H34N2O5
• Molecular Weight: 430.55 g/mol
• Exact Mass: 430.25
• IUPAC Name: ethyl (3R,4R)-1-benzyl-8-(3,3-dimethylbutanoyl)-3-hydroxy-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
• SMILES: CCOC(=O)[C@H]1[C@@H](O)C(=O)N(Cc2ccccc2)C12CCN(C(=O)CC(C)(C)C)CC2
• InChI: InChI=1S/C24H34N2O5/c1-5-31-22(30)19-20(28)21(29)26(16-17-9-7-6-8-10-17)24(19)11-13-25(14-12-24)18(27)15-23(2,3)4/h6-10,19-20,28H,5,11-16H2,1-4H3/t19-,20-/m1/s1
• InChIKey: WELBUIINETXPTO-WOJBJXKFSA-N
• XLogP: 2.37
• TPSA: 87.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.55
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ethyl (3R,4R)-1-benzyl-8-(3,3-dimethylbutanoyl)-3-hydroxy-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate?

The IUPAC name of ethyl (3R,4R)-1-benzyl-8-(3,3-dimethylbutanoyl)-3-hydroxy-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate (CID 134786359) is ethyl (3R,4R)-1-benzyl-8-(3,3-dimethylbutanoyl)-3-hydroxy-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate.

What is the SMILES notation for ethyl (3R,4R)-1-benzyl-8-(3,3-dimethylbutanoyl)-3-hydroxy-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate?

The canonical SMILES for ethyl (3R,4R)-1-benzyl-8-(3,3-dimethylbutanoyl)-3-hydroxy-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate is CCOC(=O)[C@H]1[C@@H](O)C(=O)N(Cc2ccccc2)C12CCN(C(=O)CC(C)(C)C)CC2.

What is the InChIKey of ethyl (3R,4R)-1-benzyl-8-(3,3-dimethylbutanoyl)-3-hydroxy-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate?

The InChIKey is WELBUIINETXPTO-WOJBJXKFSA-N. The full InChI is InChI=1S/C24H34N2O5/c1-5-31-22(30)19-20(28)21(29)26(16-17-9-7-6-8-10-17)24(19)11-13-25(14-12-24)18(27)15-23(2,3)4/h6-10,19-20,28H,5,11-16H2,1-4H3/t19-,20-/m1/s1.

What are the key properties of ethyl (3R,4R)-1-benzyl-8-(3,3-dimethylbutanoyl)-3-hydroxy-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate?

ethyl (3R,4R)-1-benzyl-8-(3,3-dimethylbutanoyl)-3-hydroxy-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate has a molecular weight of 430.55 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (3R,4R)-1-benzyl-8-(3,3-dimethylbutanoyl)-3-hydroxy-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate is sourced from PubChem (CID 134786359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).