Dl alanine

C₃H₇NO₂ — CID 602

About Dl alanine

Dl alanine (PubChem CID 602) has the molecular formula C₃H₇NO₂ and a molecular weight of 89.09 g/mol. Its IUPAC name is 2-aminopropanoic acid.

Molecular Properties

• Compound Name: Dl alanine
• PubChem CID: 602
• Molecular Formula: C₃H₇NO₂
• Molecular Weight: 89.09 g/mol
• Exact Mass: 89.05
• IUPAC Name: 2-aminopropanoic acid
• SMILES: CC(N)C(=O)O
• InChI: InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)
• InChIKey: QNAYBMKLOCPYGJ-UHFFFAOYSA-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 Dl alanine?

The IUPAC name of Dl alanine (CID 602) is 2-aminopropanoic acid.

What is the SMILES notation for Dl alanine?

The canonical SMILES for Dl alanine is CC(N)C(=O)O.

What is the InChIKey of Dl alanine?

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

What are the key properties of Dl alanine?

Dl 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 Dl alanine is sourced from PubChem (CID 602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 602 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 4306 — approved-drug record (CC BY-SA 4.0)

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