1-[2-amino-5-(2,5-dimethylpyrrolidin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide

C32H43N7O4 — CID 153347143

About 1-[2-amino-5-(2,5-dimethylpyrrolidin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide

1-[2-amino-5-(2,5-dimethylpyrrolidin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 153347143) has the molecular formula C32H43N7O4 and a molecular weight of 589.74 g/mol. Its IUPAC name is 1-[2-amino-5-(2,5-dimethylpyrrolidin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: 1-[2-amino-5-(2,5-dimethylpyrrolidin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide
• PubChem CID: 153347143
• Molecular Formula: C32H43N7O4
• Molecular Weight: 589.74 g/mol
• Exact Mass: 589.34
• IUPAC Name: 1-[2-amino-5-(2,5-dimethylpyrrolidin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide
• SMILES: COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C(N)CCC(=O)N3C(C)CCC3C)C2)cc1
• InChI: InChI=1S/C32H43N7O4/c1-20-5-6-21(2)39(20)30(40)14-12-26(33)32(42)38-19-24(15-22-7-10-25(43-4)11-8-22)17-29(38)31(41)34-18-23-9-13-28-27(16-23)35-36-37(28)3/h7-11,13,16,20-21,24,26,29H,5-6,12,14-15,17-19,33H2,1-4H3,(H,34,41)
• InChIKey: RUOOVZIZMZSNLT-UHFFFAOYSA-N
• XLogP: 2.56
• TPSA: 135.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	589.74
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-(2,5-dimethylpyrrolidin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide?

The IUPAC name of 1-[2-amino-5-(2,5-dimethylpyrrolidin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide (CID 153347143) is 1-[2-amino-5-(2,5-dimethylpyrrolidin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for 1-[2-amino-5-(2,5-dimethylpyrrolidin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide?

The canonical SMILES for 1-[2-amino-5-(2,5-dimethylpyrrolidin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide is COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C(N)CCC(=O)N3C(C)CCC3C)C2)cc1.

What is the InChIKey of 1-[2-amino-5-(2,5-dimethylpyrrolidin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide?

The InChIKey is RUOOVZIZMZSNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43N7O4/c1-20-5-6-21(2)39(20)30(40)14-12-26(33)32(42)38-19-24(15-22-7-10-25(43-4)11-8-22)17-29(38)31(41)34-18-23-9-13-28-27(16-23)35-36-37(28)3/h7-11,13,16,20-21,24,26,29H,5-6,12,14-15,17-19,33H2,1-4H3,(H,34,41).

What are the key properties of 1-[2-amino-5-(2,5-dimethylpyrrolidin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide?

1-[2-amino-5-(2,5-dimethylpyrrolidin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 589.74 g/mol, XLogP of 2.56, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-amino-5-(2,5-dimethylpyrrolidin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 153347143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).