4-anilino-3-hydroxy-4-oxobutanoic acid

C10H11NO4 — CID 14435729

IUPAC4-anilino-3-hydroxy-4-oxobutanoic acid
SMILESO=C(O)CC(O)C(=O)Nc1ccccc1
InChIInChI=1S/C10H11NO4/c12-8(6-9(13)14)10(15)11-7-4-2-1-3-5-7/h1-5,8,12H,6H2,(H,11,15)(H,13,14)
InChIKeyONUYMVXWZFTFLD-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.46
Rot. Bonds4

About 4-anilino-3-hydroxy-4-oxobutanoic acid

4-anilino-3-hydroxy-4-oxobutanoic acid (PubChem CID 14435729) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 4-anilino-3-hydroxy-4-oxobutanoic acid.

Molecular Properties

Compound Name4-anilino-3-hydroxy-4-oxobutanoic acid
PubChem CID14435729
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name4-anilino-3-hydroxy-4-oxobutanoic acid
SMILESO=C(O)CC(O)C(=O)Nc1ccccc1
InChIInChI=1S/C10H11NO4/c12-8(6-9(13)14)10(15)11-7-4-2-1-3-5-7/h1-5,8,12H,6H2,(H,11,15)(H,13,14)
InChIKeyONUYMVXWZFTFLD-UHFFFAOYSA-N
XLogP0.46
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-anilino-3-hydroxy-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-3-hydroxy-4-oxobutanoic acid?
The IUPAC name of 4-anilino-3-hydroxy-4-oxobutanoic acid (CID 14435729) is 4-anilino-3-hydroxy-4-oxobutanoic acid.
What is the SMILES notation for 4-anilino-3-hydroxy-4-oxobutanoic acid?
The canonical SMILES for 4-anilino-3-hydroxy-4-oxobutanoic acid is O=C(O)CC(O)C(=O)Nc1ccccc1.
What is the InChIKey of 4-anilino-3-hydroxy-4-oxobutanoic acid?
The InChIKey is ONUYMVXWZFTFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c12-8(6-9(13)14)10(15)11-7-4-2-1-3-5-7/h1-5,8,12H,6H2,(H,11,15)(H,13,14).
What are the key properties of 4-anilino-3-hydroxy-4-oxobutanoic acid?
4-anilino-3-hydroxy-4-oxobutanoic acid has a molecular weight of 209.20 g/mol, XLogP of 0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-3-hydroxy-4-oxobutanoic acid is sourced from PubChem (CID 14435729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).