L valine

C₅H₁₁NO₂ — CID 6287

About L valine

L valine (PubChem CID 6287) has the molecular formula C₅H₁₁NO₂ and a molecular weight of 117.15 g/mol. Its IUPAC name is (2S)-2-amino-3-methylbutanoic acid.

Molecular Properties

• Compound Name: L valine
• PubChem CID: 6287
• Molecular Formula: C₅H₁₁NO₂
• Molecular Weight: 117.15 g/mol
• Exact Mass: 117.08
• IUPAC Name: (2S)-2-amino-3-methylbutanoic acid
• SMILES: CC(C)[C@H](N)C(=O)O
• InChI: InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1
• InChIKey: KZSNJWFQEVHDMF-BYPYZUCNSA-N
• XLogP: 0.05
• TPSA: 63.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 8
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	117.15
LogP ≤ 5	0.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of L valine?

The IUPAC name of L valine (CID 6287) is (2S)-2-amino-3-methylbutanoic acid.

What is the SMILES notation for L valine?

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

What is the InChIKey of L valine?

The InChIKey is KZSNJWFQEVHDMF-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1.

What are the key properties of L valine?

L valine has a molecular weight of 117.15 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for L valine is sourced from PubChem (CID 6287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 6287 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 4128 — approved-drug record (CC BY-SA 4.0)

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