1-[2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-(5-oxo-6-azaspiro[3.4]octan-2-yl)pyrrolidine-2-carboxamide

C23H34N6O4 — CID 163386647

About 1-[2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-(5-oxo-6-azaspiro[3.4]octan-2-yl)pyrrolidine-2-carboxamide

1-[2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-(5-oxo-6-azaspiro[3.4]octan-2-yl)pyrrolidine-2-carboxamide (PubChem CID 163386647) has the molecular formula C23H34N6O4 and a molecular weight of 458.56 g/mol. Its IUPAC name is 1-[2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-(5-oxo-6-azaspiro[3.4]octan-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: 1-[2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-(5-oxo-6-azaspiro[3.4]octan-2-yl)pyrrolidine-2-carboxamide
• PubChem CID: 163386647
• Molecular Formula: C23H34N6O4
• Molecular Weight: 458.56 g/mol
• Exact Mass: 458.26
• IUPAC Name: 1-[2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-(5-oxo-6-azaspiro[3.4]octan-2-yl)pyrrolidine-2-carboxamide
• SMILES: CC(C)(C)C(C(=O)N1CC(O)CC1C(=O)NC1CC2(CCNC2=O)C1)n1cc(C2CC2)nn1
• InChI: InChI=1S/C23H34N6O4/c1-22(2,3)18(29-12-16(26-27-29)13-4-5-13)20(32)28-11-15(30)8-17(28)19(31)25-14-9-23(10-14)6-7-24-21(23)33/h12-15,17-18,30H,4-11H2,1-3H3,(H,24,33)(H,25,31)
• InChIKey: NUXQFYTYMOXGBY-UHFFFAOYSA-N
• XLogP: 0.49
• TPSA: 129.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.56
LogP ≤ 5	0.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-(5-oxo-6-azaspiro[3.4]octan-2-yl)pyrrolidine-2-carboxamide?

The IUPAC name of 1-[2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-(5-oxo-6-azaspiro[3.4]octan-2-yl)pyrrolidine-2-carboxamide (CID 163386647) is 1-[2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-(5-oxo-6-azaspiro[3.4]octan-2-yl)pyrrolidine-2-carboxamide.

What is the SMILES notation for 1-[2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-(5-oxo-6-azaspiro[3.4]octan-2-yl)pyrrolidine-2-carboxamide?

The canonical SMILES for 1-[2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-(5-oxo-6-azaspiro[3.4]octan-2-yl)pyrrolidine-2-carboxamide is CC(C)(C)C(C(=O)N1CC(O)CC1C(=O)NC1CC2(CCNC2=O)C1)n1cc(C2CC2)nn1.

What is the InChIKey of 1-[2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-(5-oxo-6-azaspiro[3.4]octan-2-yl)pyrrolidine-2-carboxamide?

The InChIKey is NUXQFYTYMOXGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6O4/c1-22(2,3)18(29-12-16(26-27-29)13-4-5-13)20(32)28-11-15(30)8-17(28)19(31)25-14-9-23(10-14)6-7-24-21(23)33/h12-15,17-18,30H,4-11H2,1-3H3,(H,24,33)(H,25,31).

What are the key properties of 1-[2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-(5-oxo-6-azaspiro[3.4]octan-2-yl)pyrrolidine-2-carboxamide?

1-[2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-(5-oxo-6-azaspiro[3.4]octan-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 458.56 g/mol, XLogP of 0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-(5-oxo-6-azaspiro[3.4]octan-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 163386647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).