[3-[[2-[(5,7-difluoro-1H-indole-2-carbonyl)amino]acetyl]amino]-2-oxo-4-(2-oxopyrrolidin-3-yl)butyl] 2-amino-3-methylbutanoate;methylcyclopropane

C28H37F2N5O6 — CID 170611210

About [3-[[2-[(5,7-difluoro-1H-indole-2-carbonyl)amino]acetyl]amino]-2-oxo-4-(2-oxopyrrolidin-3-yl)butyl] 2-amino-3-methylbutanoate;methylcyclopropane

[3-[[2-[(5,7-difluoro-1H-indole-2-carbonyl)amino]acetyl]amino]-2-oxo-4-(2-oxopyrrolidin-3-yl)butyl] 2-amino-3-methylbutanoate;methylcyclopropane (PubChem CID 170611210) has the molecular formula C28H37F2N5O6 and a molecular weight of 577.63 g/mol. Its IUPAC name is [3-[[2-[(5,7-difluoro-1H-indole-2-carbonyl)amino]acetyl]amino]-2-oxo-4-(2-oxopyrrolidin-3-yl)butyl] 2-amino-3-methylbutanoate;methylcyclopropane.

Molecular Properties

• Compound Name: [3-[[2-[(5,7-difluoro-1H-indole-2-carbonyl)amino]acetyl]amino]-2-oxo-4-(2-oxopyrrolidin-3-yl)butyl] 2-amino-3-methylbutanoate;methylcyclopropane
• PubChem CID: 170611210
• Molecular Formula: C28H37F2N5O6
• Molecular Weight: 577.63 g/mol
• Exact Mass: 577.27
• IUPAC Name: [3-[[2-[(5,7-difluoro-1H-indole-2-carbonyl)amino]acetyl]amino]-2-oxo-4-(2-oxopyrrolidin-3-yl)butyl] 2-amino-3-methylbutanoate;methylcyclopropane
• SMILES: CC(C)C(N)C(=O)OCC(=O)C(CC1CCNC1=O)NC(=O)CNC(=O)c1cc2cc(F)cc(F)c2[nH]1.CC1CC1
• InChI: InChI=1S/C24H29F2N5O6.C4H8/c1-11(2)20(27)24(36)37-10-18(32)16(6-12-3-4-28-22(12)34)30-19(33)9-29-23(35)17-7-13-5-14(25)8-15(26)21(13)31-17;1-4-2-3-4/h5,7-8,11-12,16,20,31H,3-4,6,9-10,27H2,1-2H3,(H,28,34)(H,29,35)(H,30,33);4H,2-3H2,1H3
• InChIKey: UXUDZBXWYCDWID-UHFFFAOYSA-N
• XLogP: 1.70
• TPSA: 172.48 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	577.63
LogP ≤ 5	1.70
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [3-[[2-[(5,7-difluoro-1H-indole-2-carbonyl)amino]acetyl]amino]-2-oxo-4-(2-oxopyrrolidin-3-yl)butyl] 2-amino-3-methylbutanoate;methylcyclopropane?

The IUPAC name of [3-[[2-[(5,7-difluoro-1H-indole-2-carbonyl)amino]acetyl]amino]-2-oxo-4-(2-oxopyrrolidin-3-yl)butyl] 2-amino-3-methylbutanoate;methylcyclopropane (CID 170611210) is [3-[[2-[(5,7-difluoro-1H-indole-2-carbonyl)amino]acetyl]amino]-2-oxo-4-(2-oxopyrrolidin-3-yl)butyl] 2-amino-3-methylbutanoate;methylcyclopropane.

What is the SMILES notation for [3-[[2-[(5,7-difluoro-1H-indole-2-carbonyl)amino]acetyl]amino]-2-oxo-4-(2-oxopyrrolidin-3-yl)butyl] 2-amino-3-methylbutanoate;methylcyclopropane?

The canonical SMILES for [3-[[2-[(5,7-difluoro-1H-indole-2-carbonyl)amino]acetyl]amino]-2-oxo-4-(2-oxopyrrolidin-3-yl)butyl] 2-amino-3-methylbutanoate;methylcyclopropane is CC(C)C(N)C(=O)OCC(=O)C(CC1CCNC1=O)NC(=O)CNC(=O)c1cc2cc(F)cc(F)c2[nH]1.CC1CC1.

What is the InChIKey of [3-[[2-[(5,7-difluoro-1H-indole-2-carbonyl)amino]acetyl]amino]-2-oxo-4-(2-oxopyrrolidin-3-yl)butyl] 2-amino-3-methylbutanoate;methylcyclopropane?

The InChIKey is UXUDZBXWYCDWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F2N5O6.C4H8/c1-11(2)20(27)24(36)37-10-18(32)16(6-12-3-4-28-22(12)34)30-19(33)9-29-23(35)17-7-13-5-14(25)8-15(26)21(13)31-17;1-4-2-3-4/h5,7-8,11-12,16,20,31H,3-4,6,9-10,27H2,1-2H3,(H,28,34)(H,29,35)(H,30,33);4H,2-3H2,1H3.

What are the key properties of [3-[[2-[(5,7-difluoro-1H-indole-2-carbonyl)amino]acetyl]amino]-2-oxo-4-(2-oxopyrrolidin-3-yl)butyl] 2-amino-3-methylbutanoate;methylcyclopropane?

[3-[[2-[(5,7-difluoro-1H-indole-2-carbonyl)amino]acetyl]amino]-2-oxo-4-(2-oxopyrrolidin-3-yl)butyl] 2-amino-3-methylbutanoate;methylcyclopropane has a molecular weight of 577.63 g/mol, XLogP of 1.70, 11 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[[2-[(5,7-difluoro-1H-indole-2-carbonyl)amino]acetyl]amino]-2-oxo-4-(2-oxopyrrolidin-3-yl)butyl] 2-amino-3-methylbutanoate;methylcyclopropane is sourced from PubChem (CID 170611210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).