(2,5-dioxopyrrolidin-1-yl) 4-(3-oxopropoxy)butanoate

C11H15NO6 — CID 139256325

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-(3-oxopropoxy)butanoate
SMILESO=CCCOCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C11H15NO6/c13-6-2-8-17-7-1-3-11(16)18-12-9(14)4-5-10(12)15/h6H,1-5,7-8H2
InChIKeyHXGXUUMKQQGPKQ-UHFFFAOYSA-N
MW257.24 g/mol
LogP-0.02
Rot. Bonds8

About (2,5-dioxopyrrolidin-1-yl) 4-(3-oxopropoxy)butanoate

(2,5-dioxopyrrolidin-1-yl) 4-(3-oxopropoxy)butanoate (PubChem CID 139256325) has the molecular formula C11H15NO6 and a molecular weight of 257.24 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-(3-oxopropoxy)butanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-(3-oxopropoxy)butanoate
PubChem CID139256325
Molecular FormulaC11H15NO6
Molecular Weight257.24 g/mol
Exact Mass257.09
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-(3-oxopropoxy)butanoate
SMILESO=CCCOCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C11H15NO6/c13-6-2-8-17-7-1-3-11(16)18-12-9(14)4-5-10(12)15/h6H,1-5,7-8H2
InChIKeyHXGXUUMKQQGPKQ-UHFFFAOYSA-N
XLogP-0.02
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 6-oxohexanoate;1-methoxypyrrolidine-2,5-dione
CID 144956392
(2,5-dioxopyrrolidin-1-yl) 4-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]butanoate;5-(3-oxobutoxy)pentan-2-one
CID 167636990
(2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]propanoate
CID 13055590
(2,5-dioxopyrrolidin-1-yl) 4-iodobutanoate
CID 86194285
4-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[3-[3-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutanoyl]oxypropoxy]propyl] butanedioate
CID 160965855
5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-[2-[2-[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoyl]oxyethoxy]ethoxy]ethyl] pentanedioate
CID 162161895
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;methane
CID 161065526
(2,5-dioxopyrrolidin-1-yl) 9-[3-[9-(2,5-dioxopyrrolidin-1-yl)oxy-3,6,9-trioxononoxy]propoxy]-4,7-dioxononanoate
CID 158122544
(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]butanoate
CID 75534885
(2,5-dioxopyrrolidin-1-yl) hept-6-enoate
CID 118510926
CID 166022973
CID 166022973
3-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]propanoic acid
CID 121295380

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-(3-oxopropoxy)butanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-(3-oxopropoxy)butanoate (CID 139256325) is (2,5-dioxopyrrolidin-1-yl) 4-(3-oxopropoxy)butanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-(3-oxopropoxy)butanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-(3-oxopropoxy)butanoate is O=CCCOCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-(3-oxopropoxy)butanoate?
The InChIKey is HXGXUUMKQQGPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO6/c13-6-2-8-17-7-1-3-11(16)18-12-9(14)4-5-10(12)15/h6H,1-5,7-8H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-(3-oxopropoxy)butanoate?
(2,5-dioxopyrrolidin-1-yl) 4-(3-oxopropoxy)butanoate has a molecular weight of 257.24 g/mol, XLogP of -0.02, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 4-(3-oxopropoxy)butanoate is sourced from PubChem (CID 139256325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).