(2,5-dioxopyrrol-1-yl) acetate;N'-hydroxybutanediamide

C10H13N3O7 — CID 175240209

IUPAC(2,5-dioxopyrrol-1-yl) acetate;N'-hydroxybutanediamide
SMILESCC(=O)ON1C(=O)C=CC1=O.NC(=O)CCC(=O)NO
InChIInChI=1S/C6H5NO4.C4H8N2O3/c1-4(8)11-7-5(9)2-3-6(7)10;5-3(7)1-2-4(8)6-9/h2-3H,1H3;9H,1-2H2,(H2,5,7)(H,6,8)
InChIKeyFESBGYLLPHQOOH-UHFFFAOYSA-N
MW287.23 g/mol
LogP-1.85
Rot. Bonds4

About (2,5-dioxopyrrol-1-yl) acetate;N'-hydroxybutanediamide

(2,5-dioxopyrrol-1-yl) acetate;N'-hydroxybutanediamide (PubChem CID 175240209) has the molecular formula C10H13N3O7 and a molecular weight of 287.23 g/mol. Its IUPAC name is (2,5-dioxopyrrol-1-yl) acetate;N'-hydroxybutanediamide.

Molecular Properties

Compound Name(2,5-dioxopyrrol-1-yl) acetate;N'-hydroxybutanediamide
PubChem CID175240209
Molecular FormulaC10H13N3O7
Molecular Weight287.23 g/mol
Exact Mass287.08
IUPAC Name(2,5-dioxopyrrol-1-yl) acetate;N'-hydroxybutanediamide
SMILESCC(=O)ON1C(=O)C=CC1=O.NC(=O)CCC(=O)NO
InChIInChI=1S/C6H5NO4.C4H8N2O3/c1-4(8)11-7-5(9)2-3-6(7)10;5-3(7)1-2-4(8)6-9/h2-3H,1H3;9H,1-2H2,(H2,5,7)(H,6,8)
InChIKeyFESBGYLLPHQOOH-UHFFFAOYSA-N
XLogP-1.85
TPSA156.10 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 5-1.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2,5-Dioxopyrrolidin-1-yl) acetate;pyrrole-2,5-dione
CID 87683063
(2,5-Dioxopyrrolidin-1-yl) propanoate;pyrrole-2,5-dione
CID 118571190
(2,5-Dioxopyrrol-1-yl) 4-aminobutanoate
CID 123609426
(2,5-Dioxopyrrolidin-1-yl) butanoate;pyrrole-2,5-dione
CID 139513214
N'-hydroxybutanediamide;pyrrole-2,5-dione
CID 159614387
Acetic acid;1-hydroxypyrrolidine-2,5-dione;pyrrole-2,5-dione
CID 175311081
(2,5-Dioxopyrrol-1-yl) butanoate;1-hydroxypyrrolidine-2,5-dione
CID 175381082

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrol-1-yl) acetate;N'-hydroxybutanediamide?
The IUPAC name of (2,5-dioxopyrrol-1-yl) acetate;N'-hydroxybutanediamide (CID 175240209) is (2,5-dioxopyrrol-1-yl) acetate;N'-hydroxybutanediamide.
What is the SMILES notation for (2,5-dioxopyrrol-1-yl) acetate;N'-hydroxybutanediamide?
The canonical SMILES for (2,5-dioxopyrrol-1-yl) acetate;N'-hydroxybutanediamide is CC(=O)ON1C(=O)C=CC1=O.NC(=O)CCC(=O)NO.
What is the InChIKey of (2,5-dioxopyrrol-1-yl) acetate;N'-hydroxybutanediamide?
The InChIKey is FESBGYLLPHQOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO4.C4H8N2O3/c1-4(8)11-7-5(9)2-3-6(7)10;5-3(7)1-2-4(8)6-9/h2-3H,1H3;9H,1-2H2,(H2,5,7)(H,6,8).
What are the key properties of (2,5-dioxopyrrol-1-yl) acetate;N'-hydroxybutanediamide?
(2,5-dioxopyrrol-1-yl) acetate;N'-hydroxybutanediamide has a molecular weight of 287.23 g/mol, XLogP of -1.85, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrol-1-yl) acetate;N'-hydroxybutanediamide is sourced from PubChem (CID 175240209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).