2-(2,5-dioxopyrrolidin-3-yl)oxycarbonyloxyethyl 2-methylpropanoate

C11H15NO7 — CID 21107344

IUPAC2-(2,5-dioxopyrrolidin-3-yl)oxycarbonyloxyethyl 2-methylpropanoate
SMILESCC(C)C(=O)OCCOC(=O)OC1CC(=O)NC1=O
InChIInChI=1S/C11H15NO7/c1-6(2)10(15)17-3-4-18-11(16)19-7-5-8(13)12-9(7)14/h6-7H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyGZJAESOMHKLCPK-UHFFFAOYSA-N
MW273.24 g/mol
LogP-0.25
Rot. Bonds5

About 2-(2,5-dioxopyrrolidin-3-yl)oxycarbonyloxyethyl 2-methylpropanoate

2-(2,5-dioxopyrrolidin-3-yl)oxycarbonyloxyethyl 2-methylpropanoate (PubChem CID 21107344) has the molecular formula C11H15NO7 and a molecular weight of 273.24 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-3-yl)oxycarbonyloxyethyl 2-methylpropanoate.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-3-yl)oxycarbonyloxyethyl 2-methylpropanoate
PubChem CID21107344
Molecular FormulaC11H15NO7
Molecular Weight273.24 g/mol
Exact Mass273.08
IUPAC Name2-(2,5-dioxopyrrolidin-3-yl)oxycarbonyloxyethyl 2-methylpropanoate
SMILESCC(C)C(=O)OCCOC(=O)OC1CC(=O)NC1=O
InChIInChI=1S/C11H15NO7/c1-6(2)10(15)17-3-4-18-11(16)19-7-5-8(13)12-9(7)14/h6-7H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyGZJAESOMHKLCPK-UHFFFAOYSA-N
XLogP-0.25
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-3-yl)oxycarbonyloxyethyl 2-methylpropanoate?
The IUPAC name of 2-(2,5-dioxopyrrolidin-3-yl)oxycarbonyloxyethyl 2-methylpropanoate (CID 21107344) is 2-(2,5-dioxopyrrolidin-3-yl)oxycarbonyloxyethyl 2-methylpropanoate.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-3-yl)oxycarbonyloxyethyl 2-methylpropanoate?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-3-yl)oxycarbonyloxyethyl 2-methylpropanoate is CC(C)C(=O)OCCOC(=O)OC1CC(=O)NC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-3-yl)oxycarbonyloxyethyl 2-methylpropanoate?
The InChIKey is GZJAESOMHKLCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO7/c1-6(2)10(15)17-3-4-18-11(16)19-7-5-8(13)12-9(7)14/h6-7H,3-5H2,1-2H3,(H,12,13,14).
What are the key properties of 2-(2,5-dioxopyrrolidin-3-yl)oxycarbonyloxyethyl 2-methylpropanoate?
2-(2,5-dioxopyrrolidin-3-yl)oxycarbonyloxyethyl 2-methylpropanoate has a molecular weight of 273.24 g/mol, XLogP of -0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-3-yl)oxycarbonyloxyethyl 2-methylpropanoate is sourced from PubChem (CID 21107344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).