3-(2-acetylanilino)propanoic acid

C11H13NO3 — CID 91076332

IUPAC3-(2-acetylanilino)propanoic acid
SMILESCC(=O)c1ccccc1NCCC(=O)O
InChIInChI=1S/C11H13NO3/c1-8(13)9-4-2-3-5-10(9)12-7-6-11(14)15/h2-5,12H,6-7H2,1H3,(H,14,15)
InChIKeyXUKIYMIQMRAKJI-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.78
Rot. Bonds5

About 3-(2-acetylanilino)propanoic acid

3-(2-acetylanilino)propanoic acid (PubChem CID 91076332) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-(2-acetylanilino)propanoic acid.

Molecular Properties

Compound Name3-(2-acetylanilino)propanoic acid
PubChem CID91076332
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name3-(2-acetylanilino)propanoic acid
SMILESCC(=O)c1ccccc1NCCC(=O)O
InChIInChI=1S/C11H13NO3/c1-8(13)9-4-2-3-5-10(9)12-7-6-11(14)15/h2-5,12H,6-7H2,1H3,(H,14,15)
InChIKeyXUKIYMIQMRAKJI-UHFFFAOYSA-N
XLogP1.78
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2-acetylanilino)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-acetylanilino)propanoic acid?
The IUPAC name of 3-(2-acetylanilino)propanoic acid (CID 91076332) is 3-(2-acetylanilino)propanoic acid.
What is the SMILES notation for 3-(2-acetylanilino)propanoic acid?
The canonical SMILES for 3-(2-acetylanilino)propanoic acid is CC(=O)c1ccccc1NCCC(=O)O.
What is the InChIKey of 3-(2-acetylanilino)propanoic acid?
The InChIKey is XUKIYMIQMRAKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-8(13)9-4-2-3-5-10(9)12-7-6-11(14)15/h2-5,12H,6-7H2,1H3,(H,14,15).
What are the key properties of 3-(2-acetylanilino)propanoic acid?
3-(2-acetylanilino)propanoic acid has a molecular weight of 207.23 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-acetylanilino)propanoic acid is sourced from PubChem (CID 91076332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).