N-[1-amino-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-1-(4-methoxy-1H-indole-2-carbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide

C26H35N5O6 — CID 175458577

About N-[1-amino-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-1-(4-methoxy-1H-indole-2-carbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide

N-[1-amino-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-1-(4-methoxy-1H-indole-2-carbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide (PubChem CID 175458577) has the molecular formula C26H35N5O6 and a molecular weight of 513.60 g/mol. Its IUPAC name is N-[1-amino-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-1-(4-methoxy-1H-indole-2-carbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-amino-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-1-(4-methoxy-1H-indole-2-carbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide
• PubChem CID: 175458577
• Molecular Formula: C26H35N5O6
• Molecular Weight: 513.60 g/mol
• Exact Mass: 513.26
• IUPAC Name: N-[1-amino-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-1-(4-methoxy-1H-indole-2-carbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide
• SMILES: COc1cccc2[nH]c(C(=O)N3CC(OC(C)(C)C)CC3C(=O)NC(CC3CCNC3=O)C(N)=O)cc12
• InChI: InChI=1S/C26H35N5O6/c1-26(2,3)37-15-11-20(24(34)30-18(22(27)32)10-14-8-9-28-23(14)33)31(13-15)25(35)19-12-16-17(29-19)6-5-7-21(16)36-4/h5-7,12,14-15,18,20,29H,8-11,13H2,1-4H3,(H2,27,32)(H,28,33)(H,30,34)
• InChIKey: CAJNCSURKXAFFI-UHFFFAOYSA-N
• XLogP: 1.07
• TPSA: 155.85 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.60
LogP ≤ 5	1.07
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-amino-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-1-(4-methoxy-1H-indole-2-carbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide?

The IUPAC name of N-[1-amino-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-1-(4-methoxy-1H-indole-2-carbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide (CID 175458577) is N-[1-amino-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-1-(4-methoxy-1H-indole-2-carbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide.

What is the SMILES notation for N-[1-amino-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-1-(4-methoxy-1H-indole-2-carbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide?

The canonical SMILES for N-[1-amino-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-1-(4-methoxy-1H-indole-2-carbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide is COc1cccc2[nH]c(C(=O)N3CC(OC(C)(C)C)CC3C(=O)NC(CC3CCNC3=O)C(N)=O)cc12.

What is the InChIKey of N-[1-amino-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-1-(4-methoxy-1H-indole-2-carbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide?

The InChIKey is CAJNCSURKXAFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O6/c1-26(2,3)37-15-11-20(24(34)30-18(22(27)32)10-14-8-9-28-23(14)33)31(13-15)25(35)19-12-16-17(29-19)6-5-7-21(16)36-4/h5-7,12,14-15,18,20,29H,8-11,13H2,1-4H3,(H2,27,32)(H,28,33)(H,30,34).

What are the key properties of N-[1-amino-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-1-(4-methoxy-1H-indole-2-carbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide?

N-[1-amino-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-1-(4-methoxy-1H-indole-2-carbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide has a molecular weight of 513.60 g/mol, XLogP of 1.07, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-amino-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-1-(4-methoxy-1H-indole-2-carbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide is sourced from PubChem (CID 175458577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).