2-[ethyl-[3-[[4-(2-propan-2-yloxyethyl)piperazine-1-carbonyl]amino]cyclobutyl]amino]acetic acid

C18H34N4O4 — CID 122026344

About 2-[ethyl-[3-[[4-(2-propan-2-yloxyethyl)piperazine-1-carbonyl]amino]cyclobutyl]amino]acetic acid

2-[ethyl-[3-[[4-(2-propan-2-yloxyethyl)piperazine-1-carbonyl]amino]cyclobutyl]amino]acetic acid (PubChem CID 122026344) has the molecular formula C18H34N4O4 and a molecular weight of 370.49 g/mol. Its IUPAC name is 2-[ethyl-[3-[[4-(2-propan-2-yloxyethyl)piperazine-1-carbonyl]amino]cyclobutyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[ethyl-[3-[[4-(2-propan-2-yloxyethyl)piperazine-1-carbonyl]amino]cyclobutyl]amino]acetic acid
• PubChem CID: 122026344
• Molecular Formula: C18H34N4O4
• Molecular Weight: 370.49 g/mol
• Exact Mass: 370.26
• IUPAC Name: 2-[ethyl-[3-[[4-(2-propan-2-yloxyethyl)piperazine-1-carbonyl]amino]cyclobutyl]amino]acetic acid
• SMILES: CCN(CC(=O)O)C1CC(NC(=O)N2CCN(CCOC(C)C)CC2)C1
• InChI: InChI=1S/C18H34N4O4/c1-4-21(13-17(23)24)16-11-15(12-16)19-18(25)22-7-5-20(6-8-22)9-10-26-14(2)3/h14-16H,4-13H2,1-3H3,(H,19,25)(H,23,24)
• InChIKey: SIAUVZKYZSGUPA-UHFFFAOYSA-N
• XLogP: 0.68
• TPSA: 85.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.49
LogP ≤ 5	0.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-[[4-(2-propan-2-yloxyethyl)piperazine-1-carbonyl]amino]cyclobutyl]amino]acetic acid?

The IUPAC name of 2-[ethyl-[3-[[4-(2-propan-2-yloxyethyl)piperazine-1-carbonyl]amino]cyclobutyl]amino]acetic acid (CID 122026344) is 2-[ethyl-[3-[[4-(2-propan-2-yloxyethyl)piperazine-1-carbonyl]amino]cyclobutyl]amino]acetic acid.

What is the SMILES notation for 2-[ethyl-[3-[[4-(2-propan-2-yloxyethyl)piperazine-1-carbonyl]amino]cyclobutyl]amino]acetic acid?

The canonical SMILES for 2-[ethyl-[3-[[4-(2-propan-2-yloxyethyl)piperazine-1-carbonyl]amino]cyclobutyl]amino]acetic acid is CCN(CC(=O)O)C1CC(NC(=O)N2CCN(CCOC(C)C)CC2)C1.

What is the InChIKey of 2-[ethyl-[3-[[4-(2-propan-2-yloxyethyl)piperazine-1-carbonyl]amino]cyclobutyl]amino]acetic acid?

The InChIKey is SIAUVZKYZSGUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O4/c1-4-21(13-17(23)24)16-11-15(12-16)19-18(25)22-7-5-20(6-8-22)9-10-26-14(2)3/h14-16H,4-13H2,1-3H3,(H,19,25)(H,23,24).

What are the key properties of 2-[ethyl-[3-[[4-(2-propan-2-yloxyethyl)piperazine-1-carbonyl]amino]cyclobutyl]amino]acetic acid?

2-[ethyl-[3-[[4-(2-propan-2-yloxyethyl)piperazine-1-carbonyl]amino]cyclobutyl]amino]acetic acid has a molecular weight of 370.49 g/mol, XLogP of 0.68, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[ethyl-[3-[[4-(2-propan-2-yloxyethyl)piperazine-1-carbonyl]amino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122026344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).