[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]methyl N-[4-methyl-1-oxo-1-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]carbamate

C26H35FN4O6 — CID 172872070

About [1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]methyl N-[4-methyl-1-oxo-1-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]carbamate

[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]methyl N-[4-methyl-1-oxo-1-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]carbamate (PubChem CID 172872070) has the molecular formula C26H35FN4O6 and a molecular weight of 518.59 g/mol. Its IUPAC name is [1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]methyl N-[4-methyl-1-oxo-1-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]carbamate.

Molecular Properties

• Compound Name: [1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]methyl N-[4-methyl-1-oxo-1-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]carbamate
• PubChem CID: 172872070
• Molecular Formula: C26H35FN4O6
• Molecular Weight: 518.59 g/mol
• Exact Mass: 518.25
• IUPAC Name: [1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]methyl N-[4-methyl-1-oxo-1-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]carbamate
• SMILES: CC(C)CC(NC(=O)OCC1CCC(=O)N1Cc1cccc(F)c1)C(=O)NC(C=O)CC1CCNC1=O
• InChI: InChI=1S/C26H35FN4O6/c1-16(2)10-22(25(35)29-20(14-32)12-18-8-9-28-24(18)34)30-26(36)37-15-21-6-7-23(33)31(21)13-17-4-3-5-19(27)11-17/h3-5,11,14,16,18,20-22H,6-10,12-13,15H2,1-2H3,(H,28,34)(H,29,35)(H,30,36)
• InChIKey: RCEIITLUVHPUBP-UHFFFAOYSA-N
• XLogP: 1.67
• TPSA: 133.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.59
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]methyl N-[4-methyl-1-oxo-1-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]carbamate?

The IUPAC name of [1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]methyl N-[4-methyl-1-oxo-1-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]carbamate (CID 172872070) is [1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]methyl N-[4-methyl-1-oxo-1-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]carbamate.

What is the SMILES notation for [1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]methyl N-[4-methyl-1-oxo-1-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]carbamate?

The canonical SMILES for [1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]methyl N-[4-methyl-1-oxo-1-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]carbamate is CC(C)CC(NC(=O)OCC1CCC(=O)N1Cc1cccc(F)c1)C(=O)NC(C=O)CC1CCNC1=O.

What is the InChIKey of [1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]methyl N-[4-methyl-1-oxo-1-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]carbamate?

The InChIKey is RCEIITLUVHPUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35FN4O6/c1-16(2)10-22(25(35)29-20(14-32)12-18-8-9-28-24(18)34)30-26(36)37-15-21-6-7-23(33)31(21)13-17-4-3-5-19(27)11-17/h3-5,11,14,16,18,20-22H,6-10,12-13,15H2,1-2H3,(H,28,34)(H,29,35)(H,30,36).

What are the key properties of [1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]methyl N-[4-methyl-1-oxo-1-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]carbamate?

[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]methyl N-[4-methyl-1-oxo-1-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]carbamate has a molecular weight of 518.59 g/mol, XLogP of 1.67, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]methyl N-[4-methyl-1-oxo-1-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]carbamate is sourced from PubChem (CID 172872070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).