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

C11H13NO4 — CID 1367961

IUPAC5-(4-hydroxyanilino)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C11H13NO4/c13-9-6-4-8(5-7-9)12-10(14)2-1-3-11(15)16/h4-7,13H,1-3H2,(H,12,14)(H,15,16)
InChIKeyKJVAPVLPMQWXAJ-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.59
Rot. Bonds5

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

5-(4-hydroxyanilino)-5-oxopentanoic acid (PubChem CID 1367961) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 5-(4-hydroxyanilino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(4-hydroxyanilino)-5-oxopentanoic acid
PubChem CID1367961
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name5-(4-hydroxyanilino)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C11H13NO4/c13-9-6-4-8(5-7-9)12-10(14)2-1-3-11(15)16/h4-7,13H,1-3H2,(H,12,14)(H,15,16)
InChIKeyKJVAPVLPMQWXAJ-UHFFFAOYSA-N
XLogP1.59
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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AM404
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4-(4-Hydroxyanilino)-4-oxobutanoic acid
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2-Propenamide, N-(4-hydroxyphenyl)-2-methyl-
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N-(4-hydroxyphenyl)acrylamide
CID 36830
Hexananilide, 3'-hydroxy-
CID 41576

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxyanilino)-5-oxopentanoic acid?
The IUPAC name of 5-(4-hydroxyanilino)-5-oxopentanoic acid (CID 1367961) is 5-(4-hydroxyanilino)-5-oxopentanoic acid.
What is the SMILES notation for 5-(4-hydroxyanilino)-5-oxopentanoic acid?
The canonical SMILES for 5-(4-hydroxyanilino)-5-oxopentanoic acid is O=C(O)CCCC(=O)Nc1ccc(O)cc1.
What is the InChIKey of 5-(4-hydroxyanilino)-5-oxopentanoic acid?
The InChIKey is KJVAPVLPMQWXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c13-9-6-4-8(5-7-9)12-10(14)2-1-3-11(15)16/h4-7,13H,1-3H2,(H,12,14)(H,15,16).
What are the key properties of 5-(4-hydroxyanilino)-5-oxopentanoic acid?
5-(4-hydroxyanilino)-5-oxopentanoic acid has a molecular weight of 223.23 g/mol, XLogP of 1.59, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxyanilino)-5-oxopentanoic acid is sourced from PubChem (CID 1367961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).