N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[(1-cyclopropyl-4-methyl-1-oxopentan-3-yl)carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide

C25H41N5O6 — CID 143358023

About N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[(1-cyclopropyl-4-methyl-1-oxopentan-3-yl)carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide

N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[(1-cyclopropyl-4-methyl-1-oxopentan-3-yl)carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide (PubChem CID 143358023) has the molecular formula C25H41N5O6 and a molecular weight of 507.63 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[(1-cyclopropyl-4-methyl-1-oxopentan-3-yl)carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[(1-cyclopropyl-4-methyl-1-oxopentan-3-yl)carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide
• PubChem CID: 143358023
• Molecular Formula: C25H41N5O6
• Molecular Weight: 507.63 g/mol
• Exact Mass: 507.31
• IUPAC Name: N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[(1-cyclopropyl-4-methyl-1-oxopentan-3-yl)carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide
• SMILES: CC(NC(=O)C1CCCN1C(=O)C(NC(=O)NC(CC(=O)C1CC1)C(C)C)C(C)(C)C)C(=O)C(N)=O
• InChI: InChI=1S/C25H41N5O6/c1-13(2)16(12-18(31)15-9-10-15)28-24(36)29-20(25(4,5)6)23(35)30-11-7-8-17(30)22(34)27-14(3)19(32)21(26)33/h13-17,20H,7-12H2,1-6H3,(H2,26,33)(H,27,34)(H2,28,29,36)
• InChIKey: YOLFDZPWMOMUTH-UHFFFAOYSA-N
• XLogP: 0.64
• TPSA: 167.77 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.63
LogP ≤ 5	0.64
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[(1-cyclopropyl-4-methyl-1-oxopentan-3-yl)carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide?

The IUPAC name of N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[(1-cyclopropyl-4-methyl-1-oxopentan-3-yl)carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide (CID 143358023) is N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[(1-cyclopropyl-4-methyl-1-oxopentan-3-yl)carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[(1-cyclopropyl-4-methyl-1-oxopentan-3-yl)carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide?

The canonical SMILES for N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[(1-cyclopropyl-4-methyl-1-oxopentan-3-yl)carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide is CC(NC(=O)C1CCCN1C(=O)C(NC(=O)NC(CC(=O)C1CC1)C(C)C)C(C)(C)C)C(=O)C(N)=O.

What is the InChIKey of N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[(1-cyclopropyl-4-methyl-1-oxopentan-3-yl)carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide?

The InChIKey is YOLFDZPWMOMUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N5O6/c1-13(2)16(12-18(31)15-9-10-15)28-24(36)29-20(25(4,5)6)23(35)30-11-7-8-17(30)22(34)27-14(3)19(32)21(26)33/h13-17,20H,7-12H2,1-6H3,(H2,26,33)(H,27,34)(H2,28,29,36).

What are the key properties of N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[(1-cyclopropyl-4-methyl-1-oxopentan-3-yl)carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide?

N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[(1-cyclopropyl-4-methyl-1-oxopentan-3-yl)carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide has a molecular weight of 507.63 g/mol, XLogP of 0.64, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[(1-cyclopropyl-4-methyl-1-oxopentan-3-yl)carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 143358023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).