(4-methoxyphenyl)methyl 2-[[1-[2-[(4-amino-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate;2-methylpropane

C34H55N5O8 — CID 143314644

About (4-methoxyphenyl)methyl 2-[[1-[2-[(4-amino-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate;2-methylpropane

(4-methoxyphenyl)methyl 2-[[1-[2-[(4-amino-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate;2-methylpropane (PubChem CID 143314644) has the molecular formula C34H55N5O8 and a molecular weight of 661.84 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl 2-[[1-[2-[(4-amino-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate;2-methylpropane.

Molecular Properties

• Compound Name: (4-methoxyphenyl)methyl 2-[[1-[2-[(4-amino-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate;2-methylpropane
• PubChem CID: 143314644
• Molecular Formula: C34H55N5O8
• Molecular Weight: 661.84 g/mol
• Exact Mass: 661.41
• IUPAC Name: (4-methoxyphenyl)methyl 2-[[1-[2-[(4-amino-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate;2-methylpropane
• SMILES: CC(C)C.COc1ccc(COC(=O)C(NC(=O)NC(C(=O)N2CCCC2C(=O)NC(C)C(=O)C(N)=O)C(C)(C)C)C(C)(C)C)cc1
• InChI: InChI=1S/C30H45N5O8.C4H10/c1-17(21(36)24(31)37)32-25(38)20-10-9-15-35(20)26(39)22(29(2,3)4)33-28(41)34-23(30(5,6)7)27(40)43-16-18-11-13-19(42-8)14-12-18;1-4(2)3/h11-14,17,20,22-23H,9-10,15-16H2,1-8H3,(H2,31,37)(H,32,38)(H2,33,34,41);4H,1-3H3
• InChIKey: YIRGJQJHNDXCAN-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 186.23 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	661.84
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl 2-[[1-[2-[(4-amino-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate;2-methylpropane?

The IUPAC name of (4-methoxyphenyl)methyl 2-[[1-[2-[(4-amino-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate;2-methylpropane (CID 143314644) is (4-methoxyphenyl)methyl 2-[[1-[2-[(4-amino-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate;2-methylpropane.

What is the SMILES notation for (4-methoxyphenyl)methyl 2-[[1-[2-[(4-amino-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate;2-methylpropane?

The canonical SMILES for (4-methoxyphenyl)methyl 2-[[1-[2-[(4-amino-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate;2-methylpropane is CC(C)C.COc1ccc(COC(=O)C(NC(=O)NC(C(=O)N2CCCC2C(=O)NC(C)C(=O)C(N)=O)C(C)(C)C)C(C)(C)C)cc1.

What is the InChIKey of (4-methoxyphenyl)methyl 2-[[1-[2-[(4-amino-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate;2-methylpropane?

The InChIKey is YIRGJQJHNDXCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H45N5O8.C4H10/c1-17(21(36)24(31)37)32-25(38)20-10-9-15-35(20)26(39)22(29(2,3)4)33-28(41)34-23(30(5,6)7)27(40)43-16-18-11-13-19(42-8)14-12-18;1-4(2)3/h11-14,17,20,22-23H,9-10,15-16H2,1-8H3,(H2,31,37)(H,32,38)(H2,33,34,41);4H,1-3H3.

What are the key properties of (4-methoxyphenyl)methyl 2-[[1-[2-[(4-amino-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate;2-methylpropane?

(4-methoxyphenyl)methyl 2-[[1-[2-[(4-amino-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate;2-methylpropane has a molecular weight of 661.84 g/mol, XLogP of 3.08, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (4-methoxyphenyl)methyl 2-[[1-[2-[(4-amino-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate;2-methylpropane is sourced from PubChem (CID 143314644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).