N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;ethane;methylcyclopropane;propane

C34H66N6O6 — CID 143101849

About N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;ethane;methylcyclopropane;propane

N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;ethane;methylcyclopropane;propane (PubChem CID 143101849) has the molecular formula C34H66N6O6 and a molecular weight of 654.94 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;ethane;methylcyclopropane;propane.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;ethane;methylcyclopropane;propane
• PubChem CID: 143101849
• Molecular Formula: C34H66N6O6
• Molecular Weight: 654.94 g/mol
• Exact Mass: 654.50
• IUPAC Name: N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;ethane;methylcyclopropane;propane
• SMILES: CC.CC(NC(=O)C1CCCN1C(=O)C(NC(=O)NCC(=O)N(C)C1CC1)C(C)(C)C)C(=O)C(N)=O.CC1CC1.CCC.CCC
• InChI: InChI=1S/C22H36N6O6.C4H8.2C3H8.C2H6/c1-12(16(30)18(23)31)25-19(32)14-7-6-10-28(14)20(33)17(22(2,3)4)26-21(34)24-11-15(29)27(5)13-8-9-13;1-4-2-3-4;2*1-3-2;1-2/h12-14,17H,6-11H2,1-5H3,(H2,23,31)(H,25,32)(H2,24,26,34);4H,2-3H2,1H3;2*3H2,1-2H3;1-2H3
• InChIKey: RXUJJBRPWZTATD-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 171.01 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	654.94
LogP ≤ 5	4.15
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-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;ethane;methylcyclopropane;propane?

The IUPAC name of N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;ethane;methylcyclopropane;propane (CID 143101849) is N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;ethane;methylcyclopropane;propane.

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

The canonical SMILES for N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;ethane;methylcyclopropane;propane is CC.CC(NC(=O)C1CCCN1C(=O)C(NC(=O)NCC(=O)N(C)C1CC1)C(C)(C)C)C(=O)C(N)=O.CC1CC1.CCC.CCC.

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

The InChIKey is RXUJJBRPWZTATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N6O6.C4H8.2C3H8.C2H6/c1-12(16(30)18(23)31)25-19(32)14-7-6-10-28(14)20(33)17(22(2,3)4)26-21(34)24-11-15(29)27(5)13-8-9-13;1-4-2-3-4;2*1-3-2;1-2/h12-14,17H,6-11H2,1-5H3,(H2,23,31)(H,25,32)(H2,24,26,34);4H,2-3H2,1H3;2*3H2,1-2H3;1-2H3.

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

N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;ethane;methylcyclopropane;propane has a molecular weight of 654.94 g/mol, XLogP of 4.15, 9 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-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;ethane;methylcyclopropane;propane is sourced from PubChem (CID 143101849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).