5-methoxy-5-oxo-2-pyrrol-1-ylpentanoic acid

C10H13NO4 — CID 115563157

IUPAC5-methoxy-5-oxo-2-pyrrol-1-ylpentanoic acid
SMILESCOC(=O)CCC(C(=O)O)n1cccc1
InChIInChI=1S/C10H13NO4/c1-15-9(12)5-4-8(10(13)14)11-6-2-3-7-11/h2-3,6-8H,4-5H2,1H3,(H,13,14)
InChIKeyUOJATGFMTDJPAQ-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.07
Rot. Bonds5

About 5-methoxy-5-oxo-2-pyrrol-1-ylpentanoic acid

5-methoxy-5-oxo-2-pyrrol-1-ylpentanoic acid (PubChem CID 115563157) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 5-methoxy-5-oxo-2-pyrrol-1-ylpentanoic acid.

Molecular Properties

Compound Name5-methoxy-5-oxo-2-pyrrol-1-ylpentanoic acid
PubChem CID115563157
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name5-methoxy-5-oxo-2-pyrrol-1-ylpentanoic acid
SMILESCOC(=O)CCC(C(=O)O)n1cccc1
InChIInChI=1S/C10H13NO4/c1-15-9(12)5-4-8(10(13)14)11-6-2-3-7-11/h2-3,6-8H,4-5H2,1H3,(H,13,14)
InChIKeyUOJATGFMTDJPAQ-UHFFFAOYSA-N
XLogP1.07
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-5-oxo-2-pyrrol-1-ylpentanoic acid?
The IUPAC name of 5-methoxy-5-oxo-2-pyrrol-1-ylpentanoic acid (CID 115563157) is 5-methoxy-5-oxo-2-pyrrol-1-ylpentanoic acid.
What is the SMILES notation for 5-methoxy-5-oxo-2-pyrrol-1-ylpentanoic acid?
The canonical SMILES for 5-methoxy-5-oxo-2-pyrrol-1-ylpentanoic acid is COC(=O)CCC(C(=O)O)n1cccc1.
What is the InChIKey of 5-methoxy-5-oxo-2-pyrrol-1-ylpentanoic acid?
The InChIKey is UOJATGFMTDJPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-15-9(12)5-4-8(10(13)14)11-6-2-3-7-11/h2-3,6-8H,4-5H2,1H3,(H,13,14).
What are the key properties of 5-methoxy-5-oxo-2-pyrrol-1-ylpentanoic acid?
5-methoxy-5-oxo-2-pyrrol-1-ylpentanoic acid has a molecular weight of 211.22 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5-oxo-2-pyrrol-1-ylpentanoic acid is sourced from PubChem (CID 115563157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).