Alminoprofen

C₁₃H₁₇NO₂ — CID 2097

About Alminoprofen

Alminoprofen (PubChem CID 2097) has the molecular formula C₁₃H₁₇NO₂ and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-[4-(2-methylprop-2-enylamino)phenyl]propanoic acid.

Molecular Properties

• Compound Name: Alminoprofen
• PubChem CID: 2097
• Molecular Formula: C₁₃H₁₇NO₂
• Molecular Weight: 219.28 g/mol
• Exact Mass: 219.13
• IUPAC Name: 2-[4-(2-methylprop-2-enylamino)phenyl]propanoic acid
• SMILES: C=C(C)CNc1ccc(C(C)C(=O)O)cc1
• InChI: InChI=1S/C13H17NO2/c1-9(2)8-14-12-6-4-11(5-7-12)10(3)13(15)16/h4-7,10,14H,1,8H2,2-3H3,(H,15,16)
• InChIKey: FPHLBGOJWPEVME-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 49.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	219.28
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Alminoprofen?

The IUPAC name of Alminoprofen (CID 2097) is 2-[4-(2-methylprop-2-enylamino)phenyl]propanoic acid.

What is the SMILES notation for Alminoprofen?

The canonical SMILES for Alminoprofen is C=C(C)CNc1ccc(C(C)C(=O)O)cc1.

What is the InChIKey of Alminoprofen?

The InChIKey is FPHLBGOJWPEVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9(2)8-14-12-6-4-11(5-7-12)10(3)13(15)16/h4-7,10,14H,1,8H2,2-3H3,(H,15,16).

What are the key properties of Alminoprofen?

Alminoprofen has a molecular weight of 219.28 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Alminoprofen is sourced from PubChem (CID 2097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2097 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 126 — approved-drug record (CC BY-SA 4.0)

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