methyl 2-[(3,5-dimethoxyphenyl)methyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]acetate

C23H29N3O6 — CID 56526064

About methyl 2-[(3,5-dimethoxyphenyl)methyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]acetate

methyl 2-[(3,5-dimethoxyphenyl)methyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]acetate (PubChem CID 56526064) has the molecular formula C23H29N3O6 and a molecular weight of 443.50 g/mol. Its IUPAC name is methyl 2-[(3,5-dimethoxyphenyl)methyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]acetate.

Molecular Properties

• Compound Name: methyl 2-[(3,5-dimethoxyphenyl)methyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]acetate
• PubChem CID: 56526064
• Molecular Formula: C23H29N3O6
• Molecular Weight: 443.50 g/mol
• Exact Mass: 443.21
• IUPAC Name: methyl 2-[(3,5-dimethoxyphenyl)methyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]acetate
• SMILES: COC(=O)CN(CC(=O)c1c[nH]c(C(=O)N2CCCC2)c1)Cc1cc(OC)cc(OC)c1
• InChI: InChI=1S/C23H29N3O6/c1-30-18-8-16(9-19(11-18)31-2)13-25(15-22(28)32-3)14-21(27)17-10-20(24-12-17)23(29)26-6-4-5-7-26/h8-12,24H,4-7,13-15H2,1-3H3
• InChIKey: JUXSKUGIKYDHEO-UHFFFAOYSA-N
• XLogP: 2.13
• TPSA: 101.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.50
LogP ≤ 5	2.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3,5-dimethoxyphenyl)methyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]acetate?

The IUPAC name of methyl 2-[(3,5-dimethoxyphenyl)methyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]acetate (CID 56526064) is methyl 2-[(3,5-dimethoxyphenyl)methyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]acetate.

What is the SMILES notation for methyl 2-[(3,5-dimethoxyphenyl)methyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]acetate?

The canonical SMILES for methyl 2-[(3,5-dimethoxyphenyl)methyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]acetate is COC(=O)CN(CC(=O)c1c[nH]c(C(=O)N2CCCC2)c1)Cc1cc(OC)cc(OC)c1.

What is the InChIKey of methyl 2-[(3,5-dimethoxyphenyl)methyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]acetate?

The InChIKey is JUXSKUGIKYDHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O6/c1-30-18-8-16(9-19(11-18)31-2)13-25(15-22(28)32-3)14-21(27)17-10-20(24-12-17)23(29)26-6-4-5-7-26/h8-12,24H,4-7,13-15H2,1-3H3.

What are the key properties of methyl 2-[(3,5-dimethoxyphenyl)methyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]acetate?

methyl 2-[(3,5-dimethoxyphenyl)methyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]acetate has a molecular weight of 443.50 g/mol, XLogP of 2.13, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[(3,5-dimethoxyphenyl)methyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]acetate is sourced from PubChem (CID 56526064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).