3-[2-(ethylamino)pent-4-enoylamino]propanoic acid

C₁₀H₁₈N₂O₃ — CID 142982562

About 3-[2-(ethylamino)pent-4-enoylamino]propanoic acid

3-[2-(ethylamino)pent-4-enoylamino]propanoic acid (PubChem CID 142982562) has the molecular formula C₁₀H₁₈N₂O₃ and a molecular weight of 214.26 g/mol. Its IUPAC name is 3-[2-(ethylamino)pent-4-enoylamino]propanoic acid.

Molecular Properties

• Compound Name: 3-[2-(ethylamino)pent-4-enoylamino]propanoic acid
• PubChem CID: 142982562
• Molecular Formula: C₁₀H₁₈N₂O₃
• Molecular Weight: 214.26 g/mol
• Exact Mass: 214.13
• IUPAC Name: 3-[2-(ethylamino)pent-4-enoylamino]propanoic acid
• SMILES: C=CCC(NCC)C(=O)NCCC(=O)O
• InChI: InChI=1S/C10H18N2O3/c1-3-5-8(11-4-2)10(15)12-7-6-9(13)14/h3,8,11H,1,4-7H2,2H3,(H,12,15)(H,13,14)
• InChIKey: XZARISZUSGEXRH-UHFFFAOYSA-N
• XLogP: 0.13
• TPSA: 78.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	214.26
LogP ≤ 5	0.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylamino)pent-4-enoylamino]propanoic acid?

The IUPAC name of 3-[2-(ethylamino)pent-4-enoylamino]propanoic acid (CID 142982562) is 3-[2-(ethylamino)pent-4-enoylamino]propanoic acid.

What is the SMILES notation for 3-[2-(ethylamino)pent-4-enoylamino]propanoic acid?

The canonical SMILES for 3-[2-(ethylamino)pent-4-enoylamino]propanoic acid is C=CCC(NCC)C(=O)NCCC(=O)O.

What is the InChIKey of 3-[2-(ethylamino)pent-4-enoylamino]propanoic acid?

The InChIKey is XZARISZUSGEXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-3-5-8(11-4-2)10(15)12-7-6-9(13)14/h3,8,11H,1,4-7H2,2H3,(H,12,15)(H,13,14).

What are the key properties of 3-[2-(ethylamino)pent-4-enoylamino]propanoic acid?

3-[2-(ethylamino)pent-4-enoylamino]propanoic acid has a molecular weight of 214.26 g/mol, XLogP of 0.13, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(ethylamino)pent-4-enoylamino]propanoic acid is sourced from PubChem (CID 142982562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142982562 — identifiers, structure, computed properties (public domain)

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