Ethyl 2-amino-4-(4-ethyl-3-methylpiperazin-1-yl)butanoate

C₁₃H₂₇N₃O₂ — CID 63635250

About Ethyl 2-amino-4-(4-ethyl-3-methylpiperazin-1-yl)butanoate

Ethyl 2-amino-4-(4-ethyl-3-methylpiperazin-1-yl)butanoate (PubChem CID 63635250) has the molecular formula C₁₃H₂₇N₃O₂ and a molecular weight of 257.38 g/mol. Its IUPAC name is ethyl 2-amino-4-(4-ethyl-3-methylpiperazin-1-yl)butanoate.

Molecular Properties

• Compound Name: Ethyl 2-amino-4-(4-ethyl-3-methylpiperazin-1-yl)butanoate
• PubChem CID: 63635250
• Molecular Formula: C₁₃H₂₇N₃O₂
• Molecular Weight: 257.38 g/mol
• Exact Mass: 257.21
• IUPAC Name: ethyl 2-amino-4-(4-ethyl-3-methylpiperazin-1-yl)butanoate
• SMILES: CCOC(=O)C(N)CCN1CCN(CC)C(C)C1
• InChI: InChI=1S/C13H27N3O2/c1-4-16-9-8-15(10-11(16)3)7-6-12(14)13(17)18-5-2/h11-12H,4-10,14H2,1-3H3
• InChIKey: DWDFROYHANJURV-UHFFFAOYSA-N
• XLogP: 0.29
• TPSA: 58.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	257.38
LogP ≤ 5	0.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of Ethyl 2-amino-4-(4-ethyl-3-methylpiperazin-1-yl)butanoate?

The IUPAC name of Ethyl 2-amino-4-(4-ethyl-3-methylpiperazin-1-yl)butanoate (CID 63635250) is ethyl 2-amino-4-(4-ethyl-3-methylpiperazin-1-yl)butanoate.

What is the SMILES notation for Ethyl 2-amino-4-(4-ethyl-3-methylpiperazin-1-yl)butanoate?

The canonical SMILES for Ethyl 2-amino-4-(4-ethyl-3-methylpiperazin-1-yl)butanoate is CCOC(=O)C(N)CCN1CCN(CC)C(C)C1.

What is the InChIKey of Ethyl 2-amino-4-(4-ethyl-3-methylpiperazin-1-yl)butanoate?

The InChIKey is DWDFROYHANJURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-4-16-9-8-15(10-11(16)3)7-6-12(14)13(17)18-5-2/h11-12H,4-10,14H2,1-3H3.

What are the key properties of Ethyl 2-amino-4-(4-ethyl-3-methylpiperazin-1-yl)butanoate?

Ethyl 2-amino-4-(4-ethyl-3-methylpiperazin-1-yl)butanoate has a molecular weight of 257.38 g/mol, XLogP of 0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Ethyl 2-amino-4-(4-ethyl-3-methylpiperazin-1-yl)butanoate is sourced from PubChem (CID 63635250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 63635250 — identifiers, structure, computed properties (public domain)

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