4-(3-hydroxyanilino)-4-oxobutanoic acid

C10H11NO4 — CID 948872

IUPAC4-(3-hydroxyanilino)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)Nc1cccc(O)c1
InChIInChI=1S/C10H11NO4/c12-8-3-1-2-7(6-8)11-9(13)4-5-10(14)15/h1-3,6,12H,4-5H2,(H,11,13)(H,14,15)
InChIKeyTYCMBBJHYNTEAJ-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.20
Rot. Bonds4

About 4-(3-hydroxyanilino)-4-oxobutanoic acid

4-(3-hydroxyanilino)-4-oxobutanoic acid (PubChem CID 948872) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 4-(3-hydroxyanilino)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(3-hydroxyanilino)-4-oxobutanoic acid
PubChem CID948872
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name4-(3-hydroxyanilino)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)Nc1cccc(O)c1
InChIInChI=1S/C10H11NO4/c12-8-3-1-2-7(6-8)11-9(13)4-5-10(14)15/h1-3,6,12H,4-5H2,(H,11,13)(H,14,15)
InChIKeyTYCMBBJHYNTEAJ-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyanilino)-4-oxobutanoic acid?
The IUPAC name of 4-(3-hydroxyanilino)-4-oxobutanoic acid (CID 948872) is 4-(3-hydroxyanilino)-4-oxobutanoic acid.
What is the SMILES notation for 4-(3-hydroxyanilino)-4-oxobutanoic acid?
The canonical SMILES for 4-(3-hydroxyanilino)-4-oxobutanoic acid is O=C(O)CCC(=O)Nc1cccc(O)c1.
What is the InChIKey of 4-(3-hydroxyanilino)-4-oxobutanoic acid?
The InChIKey is TYCMBBJHYNTEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c12-8-3-1-2-7(6-8)11-9(13)4-5-10(14)15/h1-3,6,12H,4-5H2,(H,11,13)(H,14,15).
What are the key properties of 4-(3-hydroxyanilino)-4-oxobutanoic acid?
4-(3-hydroxyanilino)-4-oxobutanoic acid has a molecular weight of 209.20 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyanilino)-4-oxobutanoic acid is sourced from PubChem (CID 948872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).