5-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)pentanoic acid

C9H13NO4 — CID 123730920

IUPAC5-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)pentanoic acid
SMILESO=C(O)CCCCN1C(=O)C=CC1O
InChIInChI=1S/C9H13NO4/c11-7-4-5-8(12)10(7)6-2-1-3-9(13)14/h4-5,7,11H,1-3,6H2,(H,13,14)
InChIKeyFHEWLZOJFGBOCP-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.04
Rot. Bonds5

About 5-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)pentanoic acid

5-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)pentanoic acid (PubChem CID 123730920) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is 5-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)pentanoic acid
PubChem CID123730920
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Name5-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)pentanoic acid
SMILESO=C(O)CCCCN1C(=O)C=CC1O
InChIInChI=1S/C9H13NO4/c11-7-4-5-8(12)10(7)6-2-1-3-9(13)14/h4-5,7,11H,1-3,6H2,(H,13,14)
InChIKeyFHEWLZOJFGBOCP-UHFFFAOYSA-N
XLogP-0.04
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)pentanoic acid
CID 23273872
6-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)hexanoic acid
CID 68330230
5-(5-oxo-2H-pyrrol-1-yl)pentanoic acid
CID 123151249
4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)butanoic acid
CID 126489101
5-[methyl-[(Z)-4-oxobut-2-enoyl]amino]pentanoic acid
CID 130374450
7-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)heptanoic acid
CID 143686162
5-(2,5-dioxopyrrol-1-yl)-4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)pentanoic acid
CID 144672923
5-(2,5-Dioxopyrrol-1-yl)pentanoic acid;ethanol
CID 175505485
(E)-4-[5-hydroxypentyl(methyl)amino]-4-oxobut-2-enoic acid
CID 107198549

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)pentanoic acid?
The IUPAC name of 5-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)pentanoic acid (CID 123730920) is 5-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)pentanoic acid.
What is the SMILES notation for 5-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)pentanoic acid?
The canonical SMILES for 5-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)pentanoic acid is O=C(O)CCCCN1C(=O)C=CC1O.
What is the InChIKey of 5-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)pentanoic acid?
The InChIKey is FHEWLZOJFGBOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c11-7-4-5-8(12)10(7)6-2-1-3-9(13)14/h4-5,7,11H,1-3,6H2,(H,13,14).
What are the key properties of 5-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)pentanoic acid?
5-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)pentanoic acid has a molecular weight of 199.21 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)pentanoic acid is sourced from PubChem (CID 123730920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).