2-(4-acetyl-3-amino-5-methylphenyl)acetic acid

C11H13NO3 — CID 54067332

IUPAC2-(4-acetyl-3-amino-5-methylphenyl)acetic acid
SMILESCC(=O)c1c(C)cc(CC(=O)O)cc1N
InChIInChI=1S/C11H13NO3/c1-6-3-8(5-10(14)15)4-9(12)11(6)7(2)13/h3-4H,5,12H2,1-2H3,(H,14,15)
InChIKeyHDRWLPHXSHJRAD-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.41
Rot. Bonds3

About 2-(4-acetyl-3-amino-5-methylphenyl)acetic acid

2-(4-acetyl-3-amino-5-methylphenyl)acetic acid (PubChem CID 54067332) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-(4-acetyl-3-amino-5-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-(4-acetyl-3-amino-5-methylphenyl)acetic acid
PubChem CID54067332
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-(4-acetyl-3-amino-5-methylphenyl)acetic acid
SMILESCC(=O)c1c(C)cc(CC(=O)O)cc1N
InChIInChI=1S/C11H13NO3/c1-6-3-8(5-10(14)15)4-9(12)11(6)7(2)13/h3-4H,5,12H2,1-2H3,(H,14,15)
InChIKeyHDRWLPHXSHJRAD-UHFFFAOYSA-N
XLogP1.41
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-3-amino-5-methylphenyl)acetic acid?
The IUPAC name of 2-(4-acetyl-3-amino-5-methylphenyl)acetic acid (CID 54067332) is 2-(4-acetyl-3-amino-5-methylphenyl)acetic acid.
What is the SMILES notation for 2-(4-acetyl-3-amino-5-methylphenyl)acetic acid?
The canonical SMILES for 2-(4-acetyl-3-amino-5-methylphenyl)acetic acid is CC(=O)c1c(C)cc(CC(=O)O)cc1N.
What is the InChIKey of 2-(4-acetyl-3-amino-5-methylphenyl)acetic acid?
The InChIKey is HDRWLPHXSHJRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-6-3-8(5-10(14)15)4-9(12)11(6)7(2)13/h3-4H,5,12H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-acetyl-3-amino-5-methylphenyl)acetic acid?
2-(4-acetyl-3-amino-5-methylphenyl)acetic acid has a molecular weight of 207.23 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-3-amino-5-methylphenyl)acetic acid is sourced from PubChem (CID 54067332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).