Carnitine

C₇H₁₅NO₃ — CID 10917

About Carnitine

Carnitine (PubChem CID 10917) has the molecular formula C₇H₁₅NO₃ and a molecular weight of 161.20 g/mol. Its IUPAC name is (3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate.

Molecular Properties

• Compound Name: Carnitine
• PubChem CID: 10917
• Molecular Formula: C₇H₁₅NO₃
• Molecular Weight: 161.20 g/mol
• Exact Mass: 161.11
• IUPAC Name: (3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate
• SMILES: C[N+](C)(C)C[C@H](O)CC(=O)[O-]
• InChI: InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/m1/s1
• InChIKey: PHIQHXFUZVPYII-ZCFIWIBFSA-N
• XLogP: -1.81
• TPSA: 60.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	161.20
LogP ≤ 5	-1.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Carnitine?

The IUPAC name of Carnitine (CID 10917) is (3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate.

What is the SMILES notation for Carnitine?

The canonical SMILES for Carnitine is C[N+](C)(C)C[C@H](O)CC(=O)[O-].

What is the InChIKey of Carnitine?

The InChIKey is PHIQHXFUZVPYII-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/m1/s1.

What are the key properties of Carnitine?

Carnitine has a molecular weight of 161.20 g/mol, XLogP of -1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Carnitine is sourced from PubChem (CID 10917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 10917 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 513 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.