1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 3-(2,5-dioxopyrrol-1-yl)propanoate

C14H14N2O9 — CID 90373430

IUPAC1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 3-(2,5-dioxopyrrol-1-yl)propanoate
SMILESCC(OC(=O)CCN1C(=O)C=CC1=O)OC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C14H14N2O9/c1-8(24-14(22)25-16-11(19)4-5-12(16)20)23-13(21)6-7-15-9(17)2-3-10(15)18/h2-3,8H,4-7H2,1H3
InChIKeySQHITZYFRWBWBJ-UHFFFAOYSA-N
MW354.27 g/mol
LogP-0.59
Rot. Bonds6

About 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 3-(2,5-dioxopyrrol-1-yl)propanoate

1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 3-(2,5-dioxopyrrol-1-yl)propanoate (PubChem CID 90373430) has the molecular formula C14H14N2O9 and a molecular weight of 354.27 g/mol. Its IUPAC name is 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 3-(2,5-dioxopyrrol-1-yl)propanoate.

Molecular Properties

Compound Name1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 3-(2,5-dioxopyrrol-1-yl)propanoate
PubChem CID90373430
Molecular FormulaC14H14N2O9
Molecular Weight354.27 g/mol
Exact Mass354.07
IUPAC Name1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 3-(2,5-dioxopyrrol-1-yl)propanoate
SMILESCC(OC(=O)CCN1C(=O)C=CC1=O)OC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C14H14N2O9/c1-8(24-14(22)25-16-11(19)4-5-12(16)20)23-13(21)6-7-15-9(17)2-3-10(15)18/h2-3,8H,4-7H2,1H3
InChIKeySQHITZYFRWBWBJ-UHFFFAOYSA-N
XLogP-0.59
TPSA136.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 5-0.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 3-(2,5-dioxopyrrol-1-yl)propanoate?
The IUPAC name of 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 3-(2,5-dioxopyrrol-1-yl)propanoate (CID 90373430) is 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 3-(2,5-dioxopyrrol-1-yl)propanoate.
What is the SMILES notation for 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 3-(2,5-dioxopyrrol-1-yl)propanoate?
The canonical SMILES for 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 3-(2,5-dioxopyrrol-1-yl)propanoate is CC(OC(=O)CCN1C(=O)C=CC1=O)OC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 3-(2,5-dioxopyrrol-1-yl)propanoate?
The InChIKey is SQHITZYFRWBWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O9/c1-8(24-14(22)25-16-11(19)4-5-12(16)20)23-13(21)6-7-15-9(17)2-3-10(15)18/h2-3,8H,4-7H2,1H3.
What are the key properties of 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 3-(2,5-dioxopyrrol-1-yl)propanoate?
1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 3-(2,5-dioxopyrrol-1-yl)propanoate has a molecular weight of 354.27 g/mol, XLogP of -0.59, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 3-(2,5-dioxopyrrol-1-yl)propanoate is sourced from PubChem (CID 90373430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).