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

C20H30N4O3 — CID 122025740

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

2-[ethyl-[3-[[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid (PubChem CID 122025740) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-[ethyl-[3-[[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[ethyl-[3-[[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid
• PubChem CID: 122025740
• Molecular Formula: C20H30N4O3
• Molecular Weight: 374.49 g/mol
• Exact Mass: 374.23
• IUPAC Name: 2-[ethyl-[3-[[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid
• SMILES: CCN(CC(=O)O)C1CC(NC(=O)N2CCC(Cc3cccnc3)CC2)C1
• InChI: InChI=1S/C20H30N4O3/c1-2-23(14-19(25)26)18-11-17(12-18)22-20(27)24-8-5-15(6-9-24)10-16-4-3-7-21-13-16/h3-4,7,13,15,17-18H,2,5-6,8-12,14H2,1H3,(H,22,27)(H,25,26)
• InChIKey: CJKNGJBSFLVXLX-UHFFFAOYSA-N
• XLogP: 1.98
• TPSA: 85.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.49
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-[ethyl-[3-[[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid (CID 122025740) is 2-[ethyl-[3-[[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid.

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

The canonical SMILES for 2-[ethyl-[3-[[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid is CCN(CC(=O)O)C1CC(NC(=O)N2CCC(Cc3cccnc3)CC2)C1.

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

The InChIKey is CJKNGJBSFLVXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-2-23(14-19(25)26)18-11-17(12-18)22-20(27)24-8-5-15(6-9-24)10-16-4-3-7-21-13-16/h3-4,7,13,15,17-18H,2,5-6,8-12,14H2,1H3,(H,22,27)(H,25,26).

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

2-[ethyl-[3-[[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid has a molecular weight of 374.49 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[ethyl-[3-[[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122025740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).