Actarit

C₁₀H₁₁NO₃ — CID 2018

About Actarit

Actarit (PubChem CID 2018) has the molecular formula C₁₀H₁₁NO₃ and a molecular weight of 193.20 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)acetic acid.

Molecular Properties

• Compound Name: Actarit
• PubChem CID: 2018
• Molecular Formula: C₁₀H₁₁NO₃
• Molecular Weight: 193.20 g/mol
• Exact Mass: 193.07
• IUPAC Name: 2-(4-acetamidophenyl)acetic acid
• SMILES: CC(=O)Nc1ccc(CC(=O)O)cc1
• InChI: InChI=1S/C10H11NO3/c1-7(12)11-9-4-2-8(3-5-9)6-10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14)
• InChIKey: MROJXXOCABQVEF-UHFFFAOYSA-N
• XLogP: 1.27
• TPSA: 66.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	193.20
LogP ≤ 5	1.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Actarit?

The IUPAC name of Actarit (CID 2018) is 2-(4-acetamidophenyl)acetic acid.

What is the SMILES notation for Actarit?

The canonical SMILES for Actarit is CC(=O)Nc1ccc(CC(=O)O)cc1.

What is the InChIKey of Actarit?

The InChIKey is MROJXXOCABQVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-7(12)11-9-4-2-8(3-5-9)6-10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14).

What are the key properties of Actarit?

Actarit has a molecular weight of 193.20 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Actarit is sourced from PubChem (CID 2018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2018 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 84 — approved-drug record (CC BY-SA 4.0)

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