L phenylalanine

C₉H₁₁NO₂ — CID 6140

About L phenylalanine

L phenylalanine (PubChem CID 6140) has the molecular formula C₉H₁₁NO₂ and a molecular weight of 165.19 g/mol. Its IUPAC name is (2S)-2-amino-3-phenylpropanoic acid.

Molecular Properties

• Compound Name: L phenylalanine
• PubChem CID: 6140
• Molecular Formula: C₉H₁₁NO₂
• Molecular Weight: 165.19 g/mol
• Exact Mass: 165.08
• IUPAC Name: (2S)-2-amino-3-phenylpropanoic acid
• SMILES: N[C@@H](Cc1ccccc1)C(=O)O
• InChI: InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
• InChIKey: COLNVLDHVKWLRT-QMMMGPOBSA-N
• XLogP: 0.64
• TPSA: 63.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	165.19
LogP ≤ 5	0.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of L phenylalanine?

The IUPAC name of L phenylalanine (CID 6140) is (2S)-2-amino-3-phenylpropanoic acid.

What is the SMILES notation for L phenylalanine?

The canonical SMILES for L phenylalanine is N[C@@H](Cc1ccccc1)C(=O)O.

What is the InChIKey of L phenylalanine?

The InChIKey is COLNVLDHVKWLRT-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1.

What are the key properties of L phenylalanine?

L phenylalanine has a molecular weight of 165.19 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for L phenylalanine is sourced from PubChem (CID 6140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 6140 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2144 — approved-drug record (CC BY-SA 4.0)

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