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

C7H9NO4 — CID 2770225

IUPAC2-(2,5-dioxopyrrolidin-1-yl)propanoic acid
SMILESCC(C(=O)O)N1C(=O)CCC1=O
InChIInChI=1S/C7H9NO4/c1-4(7(11)12)8-5(9)2-3-6(8)10/h4H,2-3H2,1H3,(H,11,12)
InChIKeyDCESWPKOLYIMNH-UHFFFAOYSA-N
MW171.15 g/mol
LogP-0.39
Rot. Bonds2

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

2-(2,5-dioxopyrrolidin-1-yl)propanoic acid (PubChem CID 2770225) has the molecular formula C7H9NO4 and a molecular weight of 171.15 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)propanoic acid
PubChem CID2770225
Molecular FormulaC7H9NO4
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)propanoic acid
SMILESCC(C(=O)O)N1C(=O)CCC1=O
InChIInChI=1S/C7H9NO4/c1-4(7(11)12)8-5(9)2-3-6(8)10/h4H,2-3H2,1H3,(H,11,12)
InChIKeyDCESWPKOLYIMNH-UHFFFAOYSA-N
XLogP-0.39
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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)propanoic acid?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)propanoic acid (CID 2770225) is 2-(2,5-dioxopyrrolidin-1-yl)propanoic acid.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)propanoic acid?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)propanoic acid is CC(C(=O)O)N1C(=O)CCC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)propanoic acid?
The InChIKey is DCESWPKOLYIMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4/c1-4(7(11)12)8-5(9)2-3-6(8)10/h4H,2-3H2,1H3,(H,11,12).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)propanoic acid?
2-(2,5-dioxopyrrolidin-1-yl)propanoic acid has a molecular weight of 171.15 g/mol, XLogP of -0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)propanoic acid is sourced from PubChem (CID 2770225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).