L alanine

C₃H₇NO₂ — CID 5950

About L alanine

L alanine (PubChem CID 5950) has the molecular formula C₃H₇NO₂ and a molecular weight of 89.09 g/mol. Its IUPAC name is (2S)-2-aminopropanoic acid.

Molecular Properties

• Compound Name: L alanine
• PubChem CID: 5950
• Molecular Formula: C₃H₇NO₂
• Molecular Weight: 89.09 g/mol
• Exact Mass: 89.05
• IUPAC Name: (2S)-2-aminopropanoic acid
• SMILES: C[C@H](N)C(=O)O
• InChI: InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
• InChIKey: QNAYBMKLOCPYGJ-REOHCLBHSA-N
• XLogP: -0.58
• TPSA: 63.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 6
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	89.09
LogP ≤ 5	-0.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of L alanine?

The IUPAC name of L alanine (CID 5950) is (2S)-2-aminopropanoic acid.

What is the SMILES notation for L alanine?

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

What is the InChIKey of L alanine?

The InChIKey is QNAYBMKLOCPYGJ-REOHCLBHSA-N. The full InChI is InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1.

What are the key properties of L alanine?

L alanine has a molecular weight of 89.09 g/mol, XLogP of -0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for L alanine is sourced from PubChem (CID 5950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5950 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 4255 — approved-drug record (CC BY-SA 4.0)

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