L arginine

C₆H₁₄N₄O₂ — CID 6322

About L arginine

L arginine (PubChem CID 6322) has the molecular formula C₆H₁₄N₄O₂ and a molecular weight of 174.20 g/mol. Its IUPAC name is (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid.

Molecular Properties

• Compound Name: L arginine
• PubChem CID: 6322
• Molecular Formula: C₆H₁₄N₄O₂
• Molecular Weight: 174.20 g/mol
• Exact Mass: 174.11
• IUPAC Name: (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid
• SMILES: NC(N)=NCCC[C@H](N)C(=O)O
• InChI: InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1
• InChIKey: ODKSFYDXXFIFQN-BYPYZUCNSA-N
• XLogP: -1.55
• TPSA: 127.72 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	174.20
LogP ≤ 5	-1.55
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of L arginine?

The IUPAC name of L arginine (CID 6322) is (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid.

What is the SMILES notation for L arginine?

The canonical SMILES for L arginine is NC(N)=NCCC[C@H](N)C(=O)O.

What is the InChIKey of L arginine?

The InChIKey is ODKSFYDXXFIFQN-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1.

What are the key properties of L arginine?

L arginine has a molecular weight of 174.20 g/mol, XLogP of -1.55, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for L arginine is sourced from PubChem (CID 6322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 6322 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1549 — approved-drug record (CC BY-SA 4.0)

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