(2,5-dioxopyrrolidin-1-yl) 3-ethoxypropanoate;methane

C10H17NO5 — CID 158347666

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-ethoxypropanoate;methane
SMILESC.CCOCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C9H13NO5.CH4/c1-2-14-6-5-9(13)15-10-7(11)3-4-8(10)12;/h2-6H2,1H3;1H4
InChIKeyGRXWFHHYDNHCCD-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.66
Rot. Bonds5

About (2,5-dioxopyrrolidin-1-yl) 3-ethoxypropanoate;methane

(2,5-dioxopyrrolidin-1-yl) 3-ethoxypropanoate;methane (PubChem CID 158347666) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-ethoxypropanoate;methane.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-ethoxypropanoate;methane
PubChem CID158347666
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-ethoxypropanoate;methane
SMILESC.CCOCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C9H13NO5.CH4/c1-2-14-6-5-9(13)15-10-7(11)3-4-8(10)12;/h2-6H2,1H3;1H4
InChIKeyGRXWFHHYDNHCCD-UHFFFAOYSA-N
XLogP0.66
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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) 3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanoate
CID 135157347
(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) 3-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]propanoate
CID 13055590
(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-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 89254876
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 51340983
CID 172913564
CID 172913564
3-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]propanoic acid
CID 121295380
4-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-(3-ethoxypropoxy)ethyl] butanedioate
CID 58559852
3-[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]propanoic acid
CID 77078181
(2,5-dioxopyrrolidin-1-yl) 3-[2-(2-aminoethoxy)ethoxy]propanoate;ethane
CID 178089902
CID 166022973
CID 166022973
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(methylamino)ethoxy]ethoxy]propanoate
CID 90143112

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-ethoxypropanoate;methane?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-ethoxypropanoate;methane (CID 158347666) is (2,5-dioxopyrrolidin-1-yl) 3-ethoxypropanoate;methane.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-ethoxypropanoate;methane?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-ethoxypropanoate;methane is C.CCOCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-ethoxypropanoate;methane?
The InChIKey is GRXWFHHYDNHCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO5.CH4/c1-2-14-6-5-9(13)15-10-7(11)3-4-8(10)12;/h2-6H2,1H3;1H4.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-ethoxypropanoate;methane?
(2,5-dioxopyrrolidin-1-yl) 3-ethoxypropanoate;methane has a molecular weight of 231.25 g/mol, XLogP of 0.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 3-ethoxypropanoate;methane is sourced from PubChem (CID 158347666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).