2-(4-acetamidophenyl)acetic acid

C10H11NO3 — CID 2018

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IUPAC2-(4-acetamidophenyl)acetic acid
SMILESCC(=O)Nc1ccc(CC(=O)O)cc1
InChIInChI=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)
InChIKeyMROJXXOCABQVEF-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.27
Rot. Bonds3

About 2-(4-acetamidophenyl)acetic acid

2-(4-acetamidophenyl)acetic acid (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 Name2-(4-acetamidophenyl)acetic acid
PubChem CID2018
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name2-(4-acetamidophenyl)acetic acid
SMILESCC(=O)Nc1ccc(CC(=O)O)cc1
InChIInChI=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)
InChIKeyMROJXXOCABQVEF-UHFFFAOYSA-N
XLogP1.27
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-acetylanthranilic acid
CID 6971
p-Acetamidobenzoic acid
CID 19266
4-Aminophenylacetic acid
CID 14533
Alminoprofen
CID 2097
3-(4-Aminophenyl)propionic acid
CID 75451
3-Acetamidobenzoic acid
CID 48847
4-Aminohydratropic acid
CID 43026
2-Hydroxyquinoline-4-carboxylic acid
CID 85076
4-(4-Aminophenyl)butanoic acid
CID 27049
Tyropanic Acid
CID 5611
2-(4-Aminophenyl)butanoic acid
CID 34655
Acedoben sodium
CID 23681162

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)acetic acid?
The IUPAC name of 2-(4-acetamidophenyl)acetic acid (CID 2018) is 2-(4-acetamidophenyl)acetic acid.
What is the SMILES notation for 2-(4-acetamidophenyl)acetic acid?
The canonical SMILES for 2-(4-acetamidophenyl)acetic acid is CC(=O)Nc1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)acetic acid?
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 2-(4-acetamidophenyl)acetic acid?
2-(4-acetamidophenyl)acetic acid 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 2-(4-acetamidophenyl)acetic acid is sourced from PubChem (CID 2018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).