tert-butyl N-[1-[2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;dichloromethane

C24H40Cl2N4O6 — CID 158953740

About tert-butyl N-[1-[2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;dichloromethane

tert-butyl N-[1-[2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;dichloromethane (PubChem CID 158953740) has the molecular formula C24H40Cl2N4O6 and a molecular weight of 551.51 g/mol. Its IUPAC name is tert-butyl N-[1-[2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;dichloromethane.

Molecular Properties

• Compound Name: tert-butyl N-[1-[2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;dichloromethane
• PubChem CID: 158953740
• Molecular Formula: C24H40Cl2N4O6
• Molecular Weight: 551.51 g/mol
• Exact Mass: 550.23
• IUPAC Name: tert-butyl N-[1-[2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;dichloromethane
• SMILES: CC(C)(C)OC(=O)NC(C(=O)N1CCCC1C(=O)NC(CC1CC1)C(=O)C(N)=O)C(C)(C)C.ClCCl
• InChI: InChI=1S/C23H38N4O6.CH2Cl2/c1-22(2,3)17(26-21(32)33-23(4,5)6)20(31)27-11-7-8-15(27)19(30)25-14(12-13-9-10-13)16(28)18(24)29;2-1-3/h13-15,17H,7-12H2,1-6H3,(H2,24,29)(H,25,30)(H,26,32);1H2
• InChIKey: JLTBUBSISAZTLD-UHFFFAOYSA-N
• XLogP: 2.68
• TPSA: 147.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	551.51
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;dichloromethane?

The IUPAC name of tert-butyl N-[1-[2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;dichloromethane (CID 158953740) is tert-butyl N-[1-[2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;dichloromethane.

What is the SMILES notation for tert-butyl N-[1-[2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;dichloromethane?

The canonical SMILES for tert-butyl N-[1-[2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;dichloromethane is CC(C)(C)OC(=O)NC(C(=O)N1CCCC1C(=O)NC(CC1CC1)C(=O)C(N)=O)C(C)(C)C.ClCCl.

What is the InChIKey of tert-butyl N-[1-[2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;dichloromethane?

The InChIKey is JLTBUBSISAZTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N4O6.CH2Cl2/c1-22(2,3)17(26-21(32)33-23(4,5)6)20(31)27-11-7-8-15(27)19(30)25-14(12-13-9-10-13)16(28)18(24)29;2-1-3/h13-15,17H,7-12H2,1-6H3,(H2,24,29)(H,25,30)(H,26,32);1H2.

What are the key properties of tert-butyl N-[1-[2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;dichloromethane?

tert-butyl N-[1-[2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;dichloromethane has a molecular weight of 551.51 g/mol, XLogP of 2.68, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;dichloromethane is sourced from PubChem (CID 158953740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).