5-(2,5-dioxopyrrol-1-yl)-4-(5-oxo-2H-pyrrol-1-yl)pentanoic acid

C13H14N2O5 — CID 118674061

IUPAC5-(2,5-dioxopyrrol-1-yl)-4-(5-oxo-2H-pyrrol-1-yl)pentanoic acid
SMILESO=C(O)CCC(CN1C(=O)C=CC1=O)N1CC=CC1=O
InChIInChI=1S/C13H14N2O5/c16-10-2-1-7-14(10)9(3-6-13(19)20)8-15-11(17)4-5-12(15)18/h1-2,4-5,9H,3,6-8H2,(H,19,20)
InChIKeyFMZCKHVPEMPTRW-UHFFFAOYSA-N
MW278.26 g/mol
LogP-0.46
Rot. Bonds6

About 5-(2,5-dioxopyrrol-1-yl)-4-(5-oxo-2H-pyrrol-1-yl)pentanoic acid

5-(2,5-dioxopyrrol-1-yl)-4-(5-oxo-2H-pyrrol-1-yl)pentanoic acid (PubChem CID 118674061) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is 5-(2,5-dioxopyrrol-1-yl)-4-(5-oxo-2H-pyrrol-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-(2,5-dioxopyrrol-1-yl)-4-(5-oxo-2H-pyrrol-1-yl)pentanoic acid
PubChem CID118674061
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name5-(2,5-dioxopyrrol-1-yl)-4-(5-oxo-2H-pyrrol-1-yl)pentanoic acid
SMILESO=C(O)CCC(CN1C(=O)C=CC1=O)N1CC=CC1=O
InChIInChI=1S/C13H14N2O5/c16-10-2-1-7-14(10)9(3-6-13(19)20)8-15-11(17)4-5-12(15)18/h1-2,4-5,9H,3,6-8H2,(H,19,20)
InChIKeyFMZCKHVPEMPTRW-UHFFFAOYSA-N
XLogP-0.46
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dioxopyrrol-1-yl)-4-(5-oxo-2H-pyrrol-1-yl)pentanoic acid?
The IUPAC name of 5-(2,5-dioxopyrrol-1-yl)-4-(5-oxo-2H-pyrrol-1-yl)pentanoic acid (CID 118674061) is 5-(2,5-dioxopyrrol-1-yl)-4-(5-oxo-2H-pyrrol-1-yl)pentanoic acid.
What is the SMILES notation for 5-(2,5-dioxopyrrol-1-yl)-4-(5-oxo-2H-pyrrol-1-yl)pentanoic acid?
The canonical SMILES for 5-(2,5-dioxopyrrol-1-yl)-4-(5-oxo-2H-pyrrol-1-yl)pentanoic acid is O=C(O)CCC(CN1C(=O)C=CC1=O)N1CC=CC1=O.
What is the InChIKey of 5-(2,5-dioxopyrrol-1-yl)-4-(5-oxo-2H-pyrrol-1-yl)pentanoic acid?
The InChIKey is FMZCKHVPEMPTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5/c16-10-2-1-7-14(10)9(3-6-13(19)20)8-15-11(17)4-5-12(15)18/h1-2,4-5,9H,3,6-8H2,(H,19,20).
What are the key properties of 5-(2,5-dioxopyrrol-1-yl)-4-(5-oxo-2H-pyrrol-1-yl)pentanoic acid?
5-(2,5-dioxopyrrol-1-yl)-4-(5-oxo-2H-pyrrol-1-yl)pentanoic acid has a molecular weight of 278.26 g/mol, XLogP of -0.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dioxopyrrol-1-yl)-4-(5-oxo-2H-pyrrol-1-yl)pentanoic acid is sourced from PubChem (CID 118674061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).