(2,5-dioxopyrrolidin-1-yl) 2-[2-(2-bromoacetyl)oxyethoxy]acetate

C10H12BrNO7 — CID 162642529

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-[2-(2-bromoacetyl)oxyethoxy]acetate
SMILESO=C(CBr)OCCOCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C10H12BrNO7/c11-5-9(15)18-4-3-17-6-10(16)19-12-7(13)1-2-8(12)14/h1-6H2
InChIKeyCGUDRPYHKIXARD-UHFFFAOYSA-N
MW338.11 g/mol
LogP-0.45
Rot. Bonds7

About (2,5-dioxopyrrolidin-1-yl) 2-[2-(2-bromoacetyl)oxyethoxy]acetate

(2,5-dioxopyrrolidin-1-yl) 2-[2-(2-bromoacetyl)oxyethoxy]acetate (PubChem CID 162642529) has the molecular formula C10H12BrNO7 and a molecular weight of 338.11 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-[2-(2-bromoacetyl)oxyethoxy]acetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-[2-(2-bromoacetyl)oxyethoxy]acetate
PubChem CID162642529
Molecular FormulaC10H12BrNO7
Molecular Weight338.11 g/mol
Exact Mass336.98
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-[2-(2-bromoacetyl)oxyethoxy]acetate
SMILESO=C(CBr)OCCOCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C10H12BrNO7/c11-5-9(15)18-4-3-17-6-10(16)19-12-7(13)1-2-8(12)14/h1-6H2
InChIKeyCGUDRPYHKIXARD-UHFFFAOYSA-N
XLogP-0.45
TPSA99.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.11
LogP ≤ 5-0.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

bis[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethyl] propanedioate
CID 153431412
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 57369360
(2,5-dioxopyrrolidin-1-yl) 2-[2-(2-methoxyethoxy)ethoxy]acetate
CID 71356458
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) 2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]acetate
CID 131709290
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetate
CID 121235813
(2,5-dioxopyrrolidin-1-yl) 2-[4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]but-2-ynoxy]acetate
CID 102332025
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]acetyl]amino]ethylamino]-2-oxoethoxy]acetate
CID 11092123
(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) 2-[2-[2-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetate
CID 59616514
(2,5-dioxopyrrolidin-1-yl) 6-[2-[6-(2,5-dioxopyrrolidin-1-yl)oxy-2,6-dioxohexoxy]ethoxy]-5-oxohexanoate
CID 163776671
(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

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[2-(2-bromoacetyl)oxyethoxy]acetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[2-(2-bromoacetyl)oxyethoxy]acetate (CID 162642529) is (2,5-dioxopyrrolidin-1-yl) 2-[2-(2-bromoacetyl)oxyethoxy]acetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-[2-(2-bromoacetyl)oxyethoxy]acetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-[2-(2-bromoacetyl)oxyethoxy]acetate is O=C(CBr)OCCOCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-[2-(2-bromoacetyl)oxyethoxy]acetate?
The InChIKey is CGUDRPYHKIXARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO7/c11-5-9(15)18-4-3-17-6-10(16)19-12-7(13)1-2-8(12)14/h1-6H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-[2-(2-bromoacetyl)oxyethoxy]acetate?
(2,5-dioxopyrrolidin-1-yl) 2-[2-(2-bromoacetyl)oxyethoxy]acetate has a molecular weight of 338.11 g/mol, XLogP of -0.45, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-[2-(2-bromoacetyl)oxyethoxy]acetate is sourced from PubChem (CID 162642529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).