(2,5-dioxopyrrolidin-1-yl) 2-(ethoxymethoxy)acetate

C9H13NO6 — CID 159218851

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-(ethoxymethoxy)acetate
SMILESCCOCOCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C9H13NO6/c1-2-14-6-15-5-9(13)16-10-7(11)3-4-8(10)12/h2-6H2,1H3
InChIKeyCCTREKNHDYTZCU-UHFFFAOYSA-N
MW231.20 g/mol
LogP-0.40
Rot. Bonds6

About (2,5-dioxopyrrolidin-1-yl) 2-(ethoxymethoxy)acetate

(2,5-dioxopyrrolidin-1-yl) 2-(ethoxymethoxy)acetate (PubChem CID 159218851) has the molecular formula C9H13NO6 and a molecular weight of 231.20 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-(ethoxymethoxy)acetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-(ethoxymethoxy)acetate
PubChem CID159218851
Molecular FormulaC9H13NO6
Molecular Weight231.20 g/mol
Exact Mass231.07
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-(ethoxymethoxy)acetate
SMILESCCOCOCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C9H13NO6/c1-2-14-6-15-5-9(13)16-10-7(11)3-4-8(10)12/h2-6H2,1H3
InChIKeyCCTREKNHDYTZCU-UHFFFAOYSA-N
XLogP-0.40
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(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-methoxyacetate
CID 10352427
(2,5-dioxopyrrolidin-1-yl) 2-[2-(2-methoxyethoxy)ethoxy]acetate
CID 71356458
(2,5-dioxopyrrolidin-1-yl) 3-ethoxypropanoate;methane
CID 158347666
(2,5-dioxopyrrolidin-1-yl) propanoate
CID 171533530
N-butyl-2-ethoxyacetamide;(2,5-dioxopyrrolidin-1-yl) 2-ethoxyacetate
CID 162199414
(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) 3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanoate
CID 135157347
tert-butyl 2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]acetate
CID 162050928
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-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]acetyl]amino]ethylamino]-2-oxoethoxy]acetate
CID 11092123
(2,5-dioxopyrrolidin-1-yl) 2-[2-(2-bromoacetyl)oxyethoxy]acetate
CID 162642529

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(ethoxymethoxy)acetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(ethoxymethoxy)acetate (CID 159218851) is (2,5-dioxopyrrolidin-1-yl) 2-(ethoxymethoxy)acetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-(ethoxymethoxy)acetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-(ethoxymethoxy)acetate is CCOCOCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-(ethoxymethoxy)acetate?
The InChIKey is CCTREKNHDYTZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO6/c1-2-14-6-15-5-9(13)16-10-7(11)3-4-8(10)12/h2-6H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-(ethoxymethoxy)acetate?
(2,5-dioxopyrrolidin-1-yl) 2-(ethoxymethoxy)acetate has a molecular weight of 231.20 g/mol, XLogP of -0.40, 6 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) 2-(ethoxymethoxy)acetate is sourced from PubChem (CID 159218851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).