L leucine

C₆H₁₃NO₂ — CID 6106

About L leucine

L leucine (PubChem CID 6106) has the molecular formula C₆H₁₃NO₂ and a molecular weight of 131.17 g/mol. Its IUPAC name is (2S)-2-amino-4-methylpentanoic acid.

Molecular Properties

• Compound Name: L leucine
• PubChem CID: 6106
• Molecular Formula: C₆H₁₃NO₂
• Molecular Weight: 131.17 g/mol
• Exact Mass: 131.09
• IUPAC Name: (2S)-2-amino-4-methylpentanoic acid
• SMILES: CC(C)C[C@H](N)C(=O)O
• InChI: InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
• InChIKey: ROHFNLRQFUQHCH-YFKPBYRVSA-N
• XLogP: 0.44
• TPSA: 63.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 9
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	131.17
LogP ≤ 5	0.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of L leucine?

The IUPAC name of L leucine (CID 6106) is (2S)-2-amino-4-methylpentanoic acid.

What is the SMILES notation for L leucine?

The canonical SMILES for L leucine is CC(C)C[C@H](N)C(=O)O.

What is the InChIKey of L leucine?

The InChIKey is ROHFNLRQFUQHCH-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1.

What are the key properties of L leucine?

L leucine has a molecular weight of 131.17 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for L leucine is sourced from PubChem (CID 6106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 6106 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1557 — approved-drug record (CC BY-SA 4.0)

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