N-(4-amino-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-[(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamoylamino]butanoyl]pyrrolidine-2-carboxamide;methylcyclobutane;2-methylpropane

C36H59N5O6 — CID 143357012

About N-(4-amino-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-[(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamoylamino]butanoyl]pyrrolidine-2-carboxamide;methylcyclobutane;2-methylpropane

N-(4-amino-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-[(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamoylamino]butanoyl]pyrrolidine-2-carboxamide;methylcyclobutane;2-methylpropane (PubChem CID 143357012) has the molecular formula C36H59N5O6 and a molecular weight of 657.90 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-[(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamoylamino]butanoyl]pyrrolidine-2-carboxamide;methylcyclobutane;2-methylpropane.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-[(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamoylamino]butanoyl]pyrrolidine-2-carboxamide;methylcyclobutane;2-methylpropane
• PubChem CID: 143357012
• Molecular Formula: C36H59N5O6
• Molecular Weight: 657.90 g/mol
• Exact Mass: 657.45
• IUPAC Name: N-(4-amino-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-[(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamoylamino]butanoyl]pyrrolidine-2-carboxamide;methylcyclobutane;2-methylpropane
• SMILES: CC(C)C.CC(NC(=O)C1CCCN1C(=O)C(NC(=O)NC(C(=O)c1ccccc1)C(C)C)C(C)(C)C)C(=O)C(N)=O.CC1CCC1
• InChI: InChI=1S/C27H39N5O6.C5H10.C4H10/c1-15(2)19(21(34)17-11-8-7-9-12-17)30-26(38)31-22(27(4,5)6)25(37)32-14-10-13-18(32)24(36)29-16(3)20(33)23(28)35;1-5-3-2-4-5;1-4(2)3/h7-9,11-12,15-16,18-19,22H,10,13-14H2,1-6H3,(H2,28,35)(H,29,36)(H2,30,31,38);5H,2-4H2,1H3;4H,1-3H3
• InChIKey: DUWBGENNZNWJBS-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 167.77 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	657.90
LogP ≤ 5	4.63
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-[3,3-dimethyl-2-[(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamoylamino]butanoyl]pyrrolidine-2-carboxamide;methylcyclobutane;2-methylpropane?

The IUPAC name of N-(4-amino-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-[(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamoylamino]butanoyl]pyrrolidine-2-carboxamide;methylcyclobutane;2-methylpropane (CID 143357012) is N-(4-amino-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-[(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamoylamino]butanoyl]pyrrolidine-2-carboxamide;methylcyclobutane;2-methylpropane.

What is the SMILES notation for N-(4-amino-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-[(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamoylamino]butanoyl]pyrrolidine-2-carboxamide;methylcyclobutane;2-methylpropane?

The canonical SMILES for N-(4-amino-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-[(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamoylamino]butanoyl]pyrrolidine-2-carboxamide;methylcyclobutane;2-methylpropane is CC(C)C.CC(NC(=O)C1CCCN1C(=O)C(NC(=O)NC(C(=O)c1ccccc1)C(C)C)C(C)(C)C)C(=O)C(N)=O.CC1CCC1.

What is the InChIKey of N-(4-amino-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-[(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamoylamino]butanoyl]pyrrolidine-2-carboxamide;methylcyclobutane;2-methylpropane?

The InChIKey is DUWBGENNZNWJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N5O6.C5H10.C4H10/c1-15(2)19(21(34)17-11-8-7-9-12-17)30-26(38)31-22(27(4,5)6)25(37)32-14-10-13-18(32)24(36)29-16(3)20(33)23(28)35;1-5-3-2-4-5;1-4(2)3/h7-9,11-12,15-16,18-19,22H,10,13-14H2,1-6H3,(H2,28,35)(H,29,36)(H2,30,31,38);5H,2-4H2,1H3;4H,1-3H3.

What are the key properties of N-(4-amino-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-[(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamoylamino]butanoyl]pyrrolidine-2-carboxamide;methylcyclobutane;2-methylpropane?

N-(4-amino-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-[(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamoylamino]butanoyl]pyrrolidine-2-carboxamide;methylcyclobutane;2-methylpropane has a molecular weight of 657.90 g/mol, XLogP of 4.63, 10 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-[3,3-dimethyl-2-[(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamoylamino]butanoyl]pyrrolidine-2-carboxamide;methylcyclobutane;2-methylpropane is sourced from PubChem (CID 143357012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).