2-(2,5-dioxopyrrolidin-1-yl)propanedioic acid

C7H7NO6 — CID 15236441

IUPAC2-(2,5-dioxopyrrolidin-1-yl)propanedioic acid
SMILESO=C(O)C(C(=O)O)N1C(=O)CCC1=O
InChIInChI=1S/C7H7NO6/c9-3-1-2-4(10)8(3)5(6(11)12)7(13)14/h5H,1-2H2,(H,11,12)(H,13,14)
InChIKeyTVELSYWQZDVSFX-UHFFFAOYSA-N
MW201.13 g/mol
LogP-1.33
Rot. Bonds3

About 2-(2,5-dioxopyrrolidin-1-yl)propanedioic acid

2-(2,5-dioxopyrrolidin-1-yl)propanedioic acid (PubChem CID 15236441) has the molecular formula C7H7NO6 and a molecular weight of 201.13 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)propanedioic acid.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)propanedioic acid
PubChem CID15236441
Molecular FormulaC7H7NO6
Molecular Weight201.13 g/mol
Exact Mass201.03
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)propanedioic acid
SMILESO=C(O)C(C(=O)O)N1C(=O)CCC1=O
InChIInChI=1S/C7H7NO6/c9-3-1-2-4(10)8(3)5(6(11)12)7(13)14/h5H,1-2H2,(H,11,12)(H,13,14)
InChIKeyTVELSYWQZDVSFX-UHFFFAOYSA-N
XLogP-1.33
TPSA111.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.13
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)propanedioic acid?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)propanedioic acid (CID 15236441) is 2-(2,5-dioxopyrrolidin-1-yl)propanedioic acid.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)propanedioic acid?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)propanedioic acid is O=C(O)C(C(=O)O)N1C(=O)CCC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)propanedioic acid?
The InChIKey is TVELSYWQZDVSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO6/c9-3-1-2-4(10)8(3)5(6(11)12)7(13)14/h5H,1-2H2,(H,11,12)(H,13,14).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)propanedioic acid?
2-(2,5-dioxopyrrolidin-1-yl)propanedioic acid has a molecular weight of 201.13 g/mol, XLogP of -1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)propanedioic acid is sourced from PubChem (CID 15236441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).