5-(2,6-dioxo-3H-pyridin-1-yl)-4-(2,5-dioxopyrrol-1-yl)pentanoic acid

C14H14N2O6 — CID 144672918

IUPAC5-(2,6-dioxo-3H-pyridin-1-yl)-4-(2,5-dioxopyrrol-1-yl)pentanoic acid
SMILESO=C(O)CCC(CN1C(=O)C=CCC1=O)N1C(=O)C=CC1=O
InChIInChI=1S/C14H14N2O6/c17-10-2-1-3-11(18)15(10)8-9(4-7-14(21)22)16-12(19)5-6-13(16)20/h1-2,5-6,9H,3-4,7-8H2,(H,21,22)
InChIKeyTXDGKMPITMKSSV-UHFFFAOYSA-N
MW306.27 g/mol
LogP-0.54
Rot. Bonds6

About 5-(2,6-dioxo-3H-pyridin-1-yl)-4-(2,5-dioxopyrrol-1-yl)pentanoic acid

5-(2,6-dioxo-3H-pyridin-1-yl)-4-(2,5-dioxopyrrol-1-yl)pentanoic acid (PubChem CID 144672918) has the molecular formula C14H14N2O6 and a molecular weight of 306.27 g/mol. Its IUPAC name is 5-(2,6-dioxo-3H-pyridin-1-yl)-4-(2,5-dioxopyrrol-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-(2,6-dioxo-3H-pyridin-1-yl)-4-(2,5-dioxopyrrol-1-yl)pentanoic acid
PubChem CID144672918
Molecular FormulaC14H14N2O6
Molecular Weight306.27 g/mol
Exact Mass306.09
IUPAC Name5-(2,6-dioxo-3H-pyridin-1-yl)-4-(2,5-dioxopyrrol-1-yl)pentanoic acid
SMILESO=C(O)CCC(CN1C(=O)C=CCC1=O)N1C(=O)C=CC1=O
InChIInChI=1S/C14H14N2O6/c17-10-2-1-3-11(18)15(10)8-9(4-7-14(21)22)16-12(19)5-6-13(16)20/h1-2,5-6,9H,3-4,7-8H2,(H,21,22)
InChIKeyTXDGKMPITMKSSV-UHFFFAOYSA-N
XLogP-0.54
TPSA112.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
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-(2,6-dioxo-3H-pyridin-1-yl)-4-(2,5-dioxopyrrol-1-yl)pentanoic acid?
The IUPAC name of 5-(2,6-dioxo-3H-pyridin-1-yl)-4-(2,5-dioxopyrrol-1-yl)pentanoic acid (CID 144672918) is 5-(2,6-dioxo-3H-pyridin-1-yl)-4-(2,5-dioxopyrrol-1-yl)pentanoic acid.
What is the SMILES notation for 5-(2,6-dioxo-3H-pyridin-1-yl)-4-(2,5-dioxopyrrol-1-yl)pentanoic acid?
The canonical SMILES for 5-(2,6-dioxo-3H-pyridin-1-yl)-4-(2,5-dioxopyrrol-1-yl)pentanoic acid is O=C(O)CCC(CN1C(=O)C=CCC1=O)N1C(=O)C=CC1=O.
What is the InChIKey of 5-(2,6-dioxo-3H-pyridin-1-yl)-4-(2,5-dioxopyrrol-1-yl)pentanoic acid?
The InChIKey is TXDGKMPITMKSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O6/c17-10-2-1-3-11(18)15(10)8-9(4-7-14(21)22)16-12(19)5-6-13(16)20/h1-2,5-6,9H,3-4,7-8H2,(H,21,22).
What are the key properties of 5-(2,6-dioxo-3H-pyridin-1-yl)-4-(2,5-dioxopyrrol-1-yl)pentanoic acid?
5-(2,6-dioxo-3H-pyridin-1-yl)-4-(2,5-dioxopyrrol-1-yl)pentanoic acid has a molecular weight of 306.27 g/mol, XLogP of -0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dioxo-3H-pyridin-1-yl)-4-(2,5-dioxopyrrol-1-yl)pentanoic acid is sourced from PubChem (CID 144672918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).