3-(2,5-dioxopyrrol-1-yl)propanoic acid;1-hydroxypyrrolidine-2,5-dione

C11H12N2O7 — CID 66895472

IUPAC3-(2,5-dioxopyrrol-1-yl)propanoic acid;1-hydroxypyrrolidine-2,5-dione
SMILESO=C(O)CCN1C(=O)C=CC1=O.O=C1CCC(=O)N1O
InChIInChI=1S/C7H7NO4.C4H5NO3/c9-5-1-2-6(10)8(5)4-3-7(11)12;6-3-1-2-4(7)5(3)8/h1-2H,3-4H2,(H,11,12);8H,1-2H2
InChIKeyBVVBXLXIPSOPGI-UHFFFAOYSA-N
MW284.22 g/mol
LogP-1.09
Rot. Bonds3

About 3-(2,5-dioxopyrrol-1-yl)propanoic acid;1-hydroxypyrrolidine-2,5-dione

3-(2,5-dioxopyrrol-1-yl)propanoic acid;1-hydroxypyrrolidine-2,5-dione (PubChem CID 66895472) has the molecular formula C11H12N2O7 and a molecular weight of 284.22 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)propanoic acid;1-hydroxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)propanoic acid;1-hydroxypyrrolidine-2,5-dione
PubChem CID66895472
Molecular FormulaC11H12N2O7
Molecular Weight284.22 g/mol
Exact Mass284.06
IUPAC Name3-(2,5-dioxopyrrol-1-yl)propanoic acid;1-hydroxypyrrolidine-2,5-dione
SMILESO=C(O)CCN1C(=O)C=CC1=O.O=C1CCC(=O)N1O
InChIInChI=1S/C7H7NO4.C4H5NO3/c9-5-1-2-6(10)8(5)4-3-7(11)12;6-3-1-2-4(7)5(3)8/h1-2H,3-4H2,(H,11,12);8H,1-2H2
InChIKeyBVVBXLXIPSOPGI-UHFFFAOYSA-N
XLogP-1.09
TPSA132.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)propanoic acid;1-hydroxypyrrolidine-2,5-dione?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)propanoic acid;1-hydroxypyrrolidine-2,5-dione (CID 66895472) is 3-(2,5-dioxopyrrol-1-yl)propanoic acid;1-hydroxypyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)propanoic acid;1-hydroxypyrrolidine-2,5-dione?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)propanoic acid;1-hydroxypyrrolidine-2,5-dione is O=C(O)CCN1C(=O)C=CC1=O.O=C1CCC(=O)N1O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)propanoic acid;1-hydroxypyrrolidine-2,5-dione?
The InChIKey is BVVBXLXIPSOPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO4.C4H5NO3/c9-5-1-2-6(10)8(5)4-3-7(11)12;6-3-1-2-4(7)5(3)8/h1-2H,3-4H2,(H,11,12);8H,1-2H2.
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)propanoic acid;1-hydroxypyrrolidine-2,5-dione?
3-(2,5-dioxopyrrol-1-yl)propanoic acid;1-hydroxypyrrolidine-2,5-dione has a molecular weight of 284.22 g/mol, XLogP of -1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)propanoic acid;1-hydroxypyrrolidine-2,5-dione is sourced from PubChem (CID 66895472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).