N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;butane;methylcyclobutane;2-methylpropane

C39H66N6O6 — CID 143102572

About N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;butane;methylcyclobutane;2-methylpropane

N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;butane;methylcyclobutane;2-methylpropane (PubChem CID 143102572) has the molecular formula C39H66N6O6 and a molecular weight of 714.99 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;butane;methylcyclobutane;2-methylpropane.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;butane;methylcyclobutane;2-methylpropane
• PubChem CID: 143102572
• Molecular Formula: C39H66N6O6
• Molecular Weight: 714.99 g/mol
• Exact Mass: 714.50
• IUPAC Name: N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;butane;methylcyclobutane;2-methylpropane
• SMILES: CC(C)C.CC(NC(=O)C1CCCN1C(=O)C(NC(=O)NCC(=O)N1Cc2ccccc2C1)C(C)(C)C)C(=O)C(N)=O.CC1CCC1.CCCC
• InChI: InChI=1S/C26H36N6O6.C5H10.2C4H10/c1-15(20(34)22(27)35)29-23(36)18-10-7-11-32(18)24(37)21(26(2,3)4)30-25(38)28-12-19(33)31-13-16-8-5-6-9-17(16)14-31;1-5-3-2-4-5;1-4(2)3;1-3-4-2/h5-6,8-9,15,18,21H,7,10-14H2,1-4H3,(H2,27,35)(H,29,36)(H2,28,30,38);5H,2-4H2,1H3;4H,1-3H3;3-4H2,1-2H3
• InChIKey: VKAUFAAORGRXCG-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 171.01 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	714.99
LogP ≤ 5	5.07
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-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;butane;methylcyclobutane;2-methylpropane?

The IUPAC name of N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;butane;methylcyclobutane;2-methylpropane (CID 143102572) is N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;butane;methylcyclobutane;2-methylpropane.

What is the SMILES notation for N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;butane;methylcyclobutane;2-methylpropane?

The canonical SMILES for N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;butane;methylcyclobutane;2-methylpropane is CC(C)C.CC(NC(=O)C1CCCN1C(=O)C(NC(=O)NCC(=O)N1Cc2ccccc2C1)C(C)(C)C)C(=O)C(N)=O.CC1CCC1.CCCC.

What is the InChIKey of N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;butane;methylcyclobutane;2-methylpropane?

The InChIKey is VKAUFAAORGRXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O6.C5H10.2C4H10/c1-15(20(34)22(27)35)29-23(36)18-10-7-11-32(18)24(37)21(26(2,3)4)30-25(38)28-12-19(33)31-13-16-8-5-6-9-17(16)14-31;1-5-3-2-4-5;1-4(2)3;1-3-4-2/h5-6,8-9,15,18,21H,7,10-14H2,1-4H3,(H2,27,35)(H,29,36)(H2,28,30,38);5H,2-4H2,1H3;4H,1-3H3;3-4H2,1-2H3.

What are the key properties of N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;butane;methylcyclobutane;2-methylpropane?

N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;butane;methylcyclobutane;2-methylpropane has a molecular weight of 714.99 g/mol, XLogP of 5.07, 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-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;butane;methylcyclobutane;2-methylpropane is sourced from PubChem (CID 143102572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).