Bempedoic acid

C₁₉H₃₆O₅ — CID 10472693

About Bempedoic acid

Bempedoic acid (PubChem CID 10472693) has the molecular formula C₁₉H₃₆O₅ and a molecular weight of 344.49 g/mol. Its IUPAC name is 8-hydroxy-2,2,14,14-tetramethylpentadecanedioic acid.

Molecular Properties

• Compound Name: Bempedoic acid
• PubChem CID: 10472693
• Molecular Formula: C₁₉H₃₆O₅
• Molecular Weight: 344.49 g/mol
• Exact Mass: 344.26
• IUPAC Name: 8-hydroxy-2,2,14,14-tetramethylpentadecanedioic acid
• SMILES: CC(C)(CCCCCC(O)CCCCCC(C)(C)C(=O)O)C(=O)O
• InChI: InChI=1S/C19H36O5/c1-18(2,16(21)22)13-9-5-7-11-15(20)12-8-6-10-14-19(3,4)17(23)24/h15,20H,5-14H2,1-4H3,(H,21,22)(H,23,24)
• InChIKey: HYHMLYSLQUKXKP-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 94.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 14
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.49
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Bempedoic acid?

The IUPAC name of Bempedoic acid (CID 10472693) is 8-hydroxy-2,2,14,14-tetramethylpentadecanedioic acid.

What is the SMILES notation for Bempedoic acid?

The canonical SMILES for Bempedoic acid is CC(C)(CCCCCC(O)CCCCCC(C)(C)C(=O)O)C(=O)O.

What is the InChIKey of Bempedoic acid?

The InChIKey is HYHMLYSLQUKXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O5/c1-18(2,16(21)22)13-9-5-7-11-15(20)12-8-6-10-14-19(3,4)17(23)24/h15,20H,5-14H2,1-4H3,(H,21,22)(H,23,24).

What are the key properties of Bempedoic acid?

Bempedoic acid has a molecular weight of 344.49 g/mol, XLogP of 4.47, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Bempedoic acid is sourced from PubChem (CID 10472693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 10472693 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 5382 — approved-drug record (CC BY-SA 4.0)

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