2-[ethyl-[3-[(4-methyl-2-pyridin-3-ylpyrrolidine-1-carbonyl)amino]cyclobutyl]amino]acetic acid

C19H28N4O3 — CID 122025640

About 2-[ethyl-[3-[(4-methyl-2-pyridin-3-ylpyrrolidine-1-carbonyl)amino]cyclobutyl]amino]acetic acid

2-[ethyl-[3-[(4-methyl-2-pyridin-3-ylpyrrolidine-1-carbonyl)amino]cyclobutyl]amino]acetic acid (PubChem CID 122025640) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[ethyl-[3-[(4-methyl-2-pyridin-3-ylpyrrolidine-1-carbonyl)amino]cyclobutyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[ethyl-[3-[(4-methyl-2-pyridin-3-ylpyrrolidine-1-carbonyl)amino]cyclobutyl]amino]acetic acid
• PubChem CID: 122025640
• Molecular Formula: C19H28N4O3
• Molecular Weight: 360.46 g/mol
• Exact Mass: 360.22
• IUPAC Name: 2-[ethyl-[3-[(4-methyl-2-pyridin-3-ylpyrrolidine-1-carbonyl)amino]cyclobutyl]amino]acetic acid
• SMILES: CCN(CC(=O)O)C1CC(NC(=O)N2CC(C)CC2c2cccnc2)C1
• InChI: InChI=1S/C19H28N4O3/c1-3-22(12-18(24)25)16-8-15(9-16)21-19(26)23-11-13(2)7-17(23)14-5-4-6-20-10-14/h4-6,10,13,15-17H,3,7-9,11-12H2,1-2H3,(H,21,26)(H,24,25)
• InChIKey: ODFUEKLMAIWAIJ-UHFFFAOYSA-N
• XLogP: 2.11
• TPSA: 85.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.46
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-[(4-methyl-2-pyridin-3-ylpyrrolidine-1-carbonyl)amino]cyclobutyl]amino]acetic acid?

The IUPAC name of 2-[ethyl-[3-[(4-methyl-2-pyridin-3-ylpyrrolidine-1-carbonyl)amino]cyclobutyl]amino]acetic acid (CID 122025640) is 2-[ethyl-[3-[(4-methyl-2-pyridin-3-ylpyrrolidine-1-carbonyl)amino]cyclobutyl]amino]acetic acid.

What is the SMILES notation for 2-[ethyl-[3-[(4-methyl-2-pyridin-3-ylpyrrolidine-1-carbonyl)amino]cyclobutyl]amino]acetic acid?

The canonical SMILES for 2-[ethyl-[3-[(4-methyl-2-pyridin-3-ylpyrrolidine-1-carbonyl)amino]cyclobutyl]amino]acetic acid is CCN(CC(=O)O)C1CC(NC(=O)N2CC(C)CC2c2cccnc2)C1.

What is the InChIKey of 2-[ethyl-[3-[(4-methyl-2-pyridin-3-ylpyrrolidine-1-carbonyl)amino]cyclobutyl]amino]acetic acid?

The InChIKey is ODFUEKLMAIWAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-3-22(12-18(24)25)16-8-15(9-16)21-19(26)23-11-13(2)7-17(23)14-5-4-6-20-10-14/h4-6,10,13,15-17H,3,7-9,11-12H2,1-2H3,(H,21,26)(H,24,25).

What are the key properties of 2-[ethyl-[3-[(4-methyl-2-pyridin-3-ylpyrrolidine-1-carbonyl)amino]cyclobutyl]amino]acetic acid?

2-[ethyl-[3-[(4-methyl-2-pyridin-3-ylpyrrolidine-1-carbonyl)amino]cyclobutyl]amino]acetic acid has a molecular weight of 360.46 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[ethyl-[3-[(4-methyl-2-pyridin-3-ylpyrrolidine-1-carbonyl)amino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122025640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).