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

C13H14N2O6 — CID 144672923

IUPAC5-(2,5-dioxopyrrol-1-yl)-4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)pentanoic acid
SMILESO=C(O)CCC(CN1C(=O)C=CC1=O)N1C(=O)C=CC1O
InChIInChI=1S/C13H14N2O6/c16-9-2-3-10(17)14(9)7-8(1-6-13(20)21)15-11(18)4-5-12(15)19/h2-5,8,11,18H,1,6-7H2,(H,20,21)
InChIKeyFNHGKNRAFKXENW-UHFFFAOYSA-N
MW294.26 g/mol
LogP-1.14
Rot. Bonds6

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

5-(2,5-dioxopyrrol-1-yl)-4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)pentanoic acid (PubChem CID 144672923) has the molecular formula C13H14N2O6 and a molecular weight of 294.26 g/mol. Its IUPAC name is 5-(2,5-dioxopyrrol-1-yl)-4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-(2,5-dioxopyrrol-1-yl)-4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)pentanoic acid
PubChem CID144672923
Molecular FormulaC13H14N2O6
Molecular Weight294.26 g/mol
Exact Mass294.09
IUPAC Name5-(2,5-dioxopyrrol-1-yl)-4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)pentanoic acid
SMILESO=C(O)CCC(CN1C(=O)C=CC1=O)N1C(=O)C=CC1O
InChIInChI=1S/C13H14N2O6/c16-9-2-3-10(17)14(9)7-8(1-6-13(20)21)15-11(18)4-5-12(15)19/h2-5,8,11,18H,1,6-7H2,(H,20,21)
InChIKeyFNHGKNRAFKXENW-UHFFFAOYSA-N
XLogP-1.14
TPSA115.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)pentanoic acid?
The IUPAC name of 5-(2,5-dioxopyrrol-1-yl)-4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)pentanoic acid (CID 144672923) is 5-(2,5-dioxopyrrol-1-yl)-4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)pentanoic acid.
What is the SMILES notation for 5-(2,5-dioxopyrrol-1-yl)-4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)pentanoic acid?
The canonical SMILES for 5-(2,5-dioxopyrrol-1-yl)-4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)pentanoic acid is O=C(O)CCC(CN1C(=O)C=CC1=O)N1C(=O)C=CC1O.
What is the InChIKey of 5-(2,5-dioxopyrrol-1-yl)-4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)pentanoic acid?
The InChIKey is FNHGKNRAFKXENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O6/c16-9-2-3-10(17)14(9)7-8(1-6-13(20)21)15-11(18)4-5-12(15)19/h2-5,8,11,18H,1,6-7H2,(H,20,21).
What are the key properties of 5-(2,5-dioxopyrrol-1-yl)-4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)pentanoic acid?
5-(2,5-dioxopyrrol-1-yl)-4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)pentanoic acid has a molecular weight of 294.26 g/mol, XLogP of -1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dioxopyrrol-1-yl)-4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)pentanoic acid is sourced from PubChem (CID 144672923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).