4-(2,5-dioxopyrrol-1-yl)butanoic acid;1-hydroxypyrrolidine-2,5-dione

C12H14N2O7 — CID 69254513

IUPAC4-(2,5-dioxopyrrol-1-yl)butanoic acid;1-hydroxypyrrolidine-2,5-dione
SMILESO=C(O)CCCN1C(=O)C=CC1=O.O=C1CCC(=O)N1O
InChIInChI=1S/C8H9NO4.C4H5NO3/c10-6-3-4-7(11)9(6)5-1-2-8(12)13;6-3-1-2-4(7)5(3)8/h3-4H,1-2,5H2,(H,12,13);8H,1-2H2
InChIKeyVLWQPMPFPUXBLV-UHFFFAOYSA-N
MW298.25 g/mol
LogP-0.70
Rot. Bonds4

About 4-(2,5-dioxopyrrol-1-yl)butanoic acid;1-hydroxypyrrolidine-2,5-dione

4-(2,5-dioxopyrrol-1-yl)butanoic acid;1-hydroxypyrrolidine-2,5-dione (PubChem CID 69254513) has the molecular formula C12H14N2O7 and a molecular weight of 298.25 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrol-1-yl)butanoic acid;1-hydroxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name4-(2,5-dioxopyrrol-1-yl)butanoic acid;1-hydroxypyrrolidine-2,5-dione
PubChem CID69254513
Molecular FormulaC12H14N2O7
Molecular Weight298.25 g/mol
Exact Mass298.08
IUPAC Name4-(2,5-dioxopyrrol-1-yl)butanoic acid;1-hydroxypyrrolidine-2,5-dione
SMILESO=C(O)CCCN1C(=O)C=CC1=O.O=C1CCC(=O)N1O
InChIInChI=1S/C8H9NO4.C4H5NO3/c10-6-3-4-7(11)9(6)5-1-2-8(12)13;6-3-1-2-4(7)5(3)8/h3-4H,1-2,5H2,(H,12,13);8H,1-2H2
InChIKeyVLWQPMPFPUXBLV-UHFFFAOYSA-N
XLogP-0.70
TPSA132.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 5-0.70
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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Related Compounds

4-Maleimidobutyric Acid
CID 3404904
2,5-dioxopyrrolidin-1-yl 3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanoate
CID 4620597
N-(gamma-Maleimidobutyryloxy)succinimide
CID 133440
Maleimidoacetic acid N-hydroxysuccinimide ester
CID 3299229
(2,5-Dioxopyrrol-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 11821930
(2,5-Dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)butanoate
CID 20082949
1-[4-(2,5-Dioxopyrrolidin-1-yl)oxybutyl]pyrrole-2,5-dione
CID 21660856
2-(2,5-Dioxopyrrolidin-1-yl)-4-(2,5-dioxopyrrol-1-yl)butanoic acid
CID 22989080
(1-Hydroxy-2,5-dioxopyrrolidin-1-ium-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate
CID 23506201
(2,5-Dioxopyrrolidin-1-yl) 2-(1-ethyl-2,5-dioxopyrrol-1-ium-1-yl)acetate
CID 59237936
(3-Methyl-2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 60036404
4-(2,5-Dioxopyrrol-1-yl)butanoic acid;pyrrolidine-2,5-dione
CID 66628189

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrol-1-yl)butanoic acid;1-hydroxypyrrolidine-2,5-dione?
The IUPAC name of 4-(2,5-dioxopyrrol-1-yl)butanoic acid;1-hydroxypyrrolidine-2,5-dione (CID 69254513) is 4-(2,5-dioxopyrrol-1-yl)butanoic acid;1-hydroxypyrrolidine-2,5-dione.
What is the SMILES notation for 4-(2,5-dioxopyrrol-1-yl)butanoic acid;1-hydroxypyrrolidine-2,5-dione?
The canonical SMILES for 4-(2,5-dioxopyrrol-1-yl)butanoic acid;1-hydroxypyrrolidine-2,5-dione is O=C(O)CCCN1C(=O)C=CC1=O.O=C1CCC(=O)N1O.
What is the InChIKey of 4-(2,5-dioxopyrrol-1-yl)butanoic acid;1-hydroxypyrrolidine-2,5-dione?
The InChIKey is VLWQPMPFPUXBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4.C4H5NO3/c10-6-3-4-7(11)9(6)5-1-2-8(12)13;6-3-1-2-4(7)5(3)8/h3-4H,1-2,5H2,(H,12,13);8H,1-2H2.
What are the key properties of 4-(2,5-dioxopyrrol-1-yl)butanoic acid;1-hydroxypyrrolidine-2,5-dione?
4-(2,5-dioxopyrrol-1-yl)butanoic acid;1-hydroxypyrrolidine-2,5-dione has a molecular weight of 298.25 g/mol, XLogP of -0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrol-1-yl)butanoic acid;1-hydroxypyrrolidine-2,5-dione is sourced from PubChem (CID 69254513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).