5-amino-2-(4-hydroxyanilino)-5-oxopentanoic acid

C11H14N2O4 — CID 22621428

IUPAC5-amino-2-(4-hydroxyanilino)-5-oxopentanoic acid
SMILESNC(=O)CCC(Nc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C11H14N2O4/c12-10(15)6-5-9(11(16)17)13-7-1-3-8(14)4-2-7/h1-4,9,13-14H,5-6H2,(H2,12,15)(H,16,17)
InChIKeySKLQABVRGGRTIT-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.52
Rot. Bonds6

About 5-amino-2-(4-hydroxyanilino)-5-oxopentanoic acid

5-amino-2-(4-hydroxyanilino)-5-oxopentanoic acid (PubChem CID 22621428) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 5-amino-2-(4-hydroxyanilino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-(4-hydroxyanilino)-5-oxopentanoic acid
PubChem CID22621428
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name5-amino-2-(4-hydroxyanilino)-5-oxopentanoic acid
SMILESNC(=O)CCC(Nc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C11H14N2O4/c12-10(15)6-5-9(11(16)17)13-7-1-3-8(14)4-2-7/h1-4,9,13-14H,5-6H2,(H2,12,15)(H,16,17)
InChIKeySKLQABVRGGRTIT-UHFFFAOYSA-N
XLogP0.52
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-hydroxyanilino)-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-(4-hydroxyanilino)-5-oxopentanoic acid (CID 22621428) is 5-amino-2-(4-hydroxyanilino)-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-(4-hydroxyanilino)-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-(4-hydroxyanilino)-5-oxopentanoic acid is NC(=O)CCC(Nc1ccc(O)cc1)C(=O)O.
What is the InChIKey of 5-amino-2-(4-hydroxyanilino)-5-oxopentanoic acid?
The InChIKey is SKLQABVRGGRTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c12-10(15)6-5-9(11(16)17)13-7-1-3-8(14)4-2-7/h1-4,9,13-14H,5-6H2,(H2,12,15)(H,16,17).
What are the key properties of 5-amino-2-(4-hydroxyanilino)-5-oxopentanoic acid?
5-amino-2-(4-hydroxyanilino)-5-oxopentanoic acid has a molecular weight of 238.24 g/mol, XLogP of 0.52, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-hydroxyanilino)-5-oxopentanoic acid is sourced from PubChem (CID 22621428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).