4-anilino-4-oxobutanoic acid

C10H11NO3 — CID 7598

IUPAC4-anilino-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)Nc1ccccc1
InChIInChI=1S/C10H11NO3/c12-9(6-7-10(13)14)11-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14)
InChIKeyKTFGFGGLCMGYTP-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.49
Rot. Bonds4

About 4-anilino-4-oxobutanoic acid

4-anilino-4-oxobutanoic acid (PubChem CID 7598) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 4-anilino-4-oxobutanoic acid.

Molecular Properties

Compound Name4-anilino-4-oxobutanoic acid
PubChem CID7598
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name4-anilino-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)Nc1ccccc1
InChIInChI=1S/C10H11NO3/c12-9(6-7-10(13)14)11-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14)
InChIKeyKTFGFGGLCMGYTP-UHFFFAOYSA-N
XLogP1.49
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-anilino-4-oxobutanoic 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 4-anilino-4-oxobutanoic acid?
The IUPAC name of 4-anilino-4-oxobutanoic acid (CID 7598) is 4-anilino-4-oxobutanoic acid.
What is the SMILES notation for 4-anilino-4-oxobutanoic acid?
The canonical SMILES for 4-anilino-4-oxobutanoic acid is O=C(O)CCC(=O)Nc1ccccc1.
What is the InChIKey of 4-anilino-4-oxobutanoic acid?
The InChIKey is KTFGFGGLCMGYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c12-9(6-7-10(13)14)11-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14).
What are the key properties of 4-anilino-4-oxobutanoic acid?
4-anilino-4-oxobutanoic acid has a molecular weight of 193.20 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-4-oxobutanoic acid is sourced from PubChem (CID 7598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).