1-[(2R)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-[2-hydroxy-3-(triazol-1-yl)propyl]pyrrolidine-2-carboxamide

C21H32N8O4 — CID 175941673

About 1-[(2R)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-[2-hydroxy-3-(triazol-1-yl)propyl]pyrrolidine-2-carboxamide

1-[(2R)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-[2-hydroxy-3-(triazol-1-yl)propyl]pyrrolidine-2-carboxamide (PubChem CID 175941673) has the molecular formula C21H32N8O4 and a molecular weight of 460.54 g/mol. Its IUPAC name is 1-[(2R)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-[2-hydroxy-3-(triazol-1-yl)propyl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: 1-[(2R)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-[2-hydroxy-3-(triazol-1-yl)propyl]pyrrolidine-2-carboxamide
• PubChem CID: 175941673
• Molecular Formula: C21H32N8O4
• Molecular Weight: 460.54 g/mol
• Exact Mass: 460.25
• IUPAC Name: 1-[(2R)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-[2-hydroxy-3-(triazol-1-yl)propyl]pyrrolidine-2-carboxamide
• SMILES: CC(C)(C)[C@H](C(=O)N1CC(O)CC1C(=O)NCC(O)Cn1ccnn1)n1cc(C2CC2)nn1
• InChI: InChI=1S/C21H32N8O4/c1-21(2,3)18(29-12-16(24-26-29)13-4-5-13)20(33)28-11-14(30)8-17(28)19(32)22-9-15(31)10-27-7-6-23-25-27/h6-7,12-15,17-18,30-31H,4-5,8-11H2,1-3H3,(H,22,32)/t14?,15?,17?,18-/m0/s1
• InChIKey: PXVLRKRUMPNIFL-CSQARDAQSA-N
• XLogP: -0.53
• TPSA: 151.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.54
LogP ≤ 5	-0.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-[2-hydroxy-3-(triazol-1-yl)propyl]pyrrolidine-2-carboxamide?

The IUPAC name of 1-[(2R)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-[2-hydroxy-3-(triazol-1-yl)propyl]pyrrolidine-2-carboxamide (CID 175941673) is 1-[(2R)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-[2-hydroxy-3-(triazol-1-yl)propyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for 1-[(2R)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-[2-hydroxy-3-(triazol-1-yl)propyl]pyrrolidine-2-carboxamide?

The canonical SMILES for 1-[(2R)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-[2-hydroxy-3-(triazol-1-yl)propyl]pyrrolidine-2-carboxamide is CC(C)(C)[C@H](C(=O)N1CC(O)CC1C(=O)NCC(O)Cn1ccnn1)n1cc(C2CC2)nn1.

What is the InChIKey of 1-[(2R)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-[2-hydroxy-3-(triazol-1-yl)propyl]pyrrolidine-2-carboxamide?

The InChIKey is PXVLRKRUMPNIFL-CSQARDAQSA-N. The full InChI is InChI=1S/C21H32N8O4/c1-21(2,3)18(29-12-16(24-26-29)13-4-5-13)20(33)28-11-14(30)8-17(28)19(32)22-9-15(31)10-27-7-6-23-25-27/h6-7,12-15,17-18,30-31H,4-5,8-11H2,1-3H3,(H,22,32)/t14?,15?,17?,18-/m0/s1.

What are the key properties of 1-[(2R)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-[2-hydroxy-3-(triazol-1-yl)propyl]pyrrolidine-2-carboxamide?

1-[(2R)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-[2-hydroxy-3-(triazol-1-yl)propyl]pyrrolidine-2-carboxamide has a molecular weight of 460.54 g/mol, XLogP of -0.53, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-[2-hydroxy-3-(triazol-1-yl)propyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 175941673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).