tert-butyl 3-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypyrrolidine-1-carboxylate

C14H20N2O7 — CID 175191066

IUPACtert-butyl 3-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OC(=O)ON2C(=O)CCC2=O)C1
InChIInChI=1S/C14H20N2O7/c1-14(2,3)22-12(19)15-7-6-9(8-15)21-13(20)23-16-10(17)4-5-11(16)18/h9H,4-8H2,1-3H3
InChIKeyPMEFRNWGGMTJET-UHFFFAOYSA-N
MW328.32 g/mol
LogP1.21
Rot. Bonds2

About tert-butyl 3-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypyrrolidine-1-carboxylate

tert-butyl 3-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypyrrolidine-1-carboxylate (PubChem CID 175191066) has the molecular formula C14H20N2O7 and a molecular weight of 328.32 g/mol. Its IUPAC name is tert-butyl 3-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypyrrolidine-1-carboxylate
PubChem CID175191066
Molecular FormulaC14H20N2O7
Molecular Weight328.32 g/mol
Exact Mass328.13
IUPAC Nametert-butyl 3-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OC(=O)ON2C(=O)CCC2=O)C1
InChIInChI=1S/C14H20N2O7/c1-14(2,3)22-12(19)15-7-6-9(8-15)21-13(20)23-16-10(17)4-5-11(16)18/h9H,4-8H2,1-3H3
InChIKeyPMEFRNWGGMTJET-UHFFFAOYSA-N
XLogP1.21
TPSA102.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) [(3S)-1-prop-2-enoylpyrrolidin-3-yl] carbonate
CID 142596293
tert-butyl (3R)-3-acetyloxypyrrolidine-1-carboxylate
CID 13466617
tert-butyl (3S)-3-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]pyrrolidine-1-carboxylate
CID 157049193
tert-butyl (3R)-3-carbonochloridoyloxypyrrolidine-1-carboxylate
CID 124584355
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxy-2-oxoacetic acid
CID 154710918
tert-butyl 3-(ethylcarbamoyloxy)pyrrolidine-1-carboxylate
CID 77402680
tert-butyl (3R)-3-hydroperoxypyrrolidine-1-carboxylate
CID 146427923
tert-butyl (3S)-3-[(4-iodophenyl)carbamoyloxy]pyrrolidine-1-carboxylate
CID 169298617
tert-butyl (3R)-3-(2-hydroxy-2-methylpropoxy)pyrrolidine-1-carboxylate
CID 70848392
tert-butyl 3-methoxypyrrolidine-1-carboxylate;methanol;molecular hydrogen
CID 172596059
tert-butyl (3R,4R)-4-fluoro-3-[(2-methylpropan-2-yl)oxycarbonyloxy]piperidine-1-carboxylate
CID 129320006
tert-butyl 4-carbamoyloxypiperidine-1-carboxylate
CID 21292956

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypyrrolidine-1-carboxylate (CID 175191066) is tert-butyl 3-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(OC(=O)ON2C(=O)CCC2=O)C1.
What is the InChIKey of tert-butyl 3-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypyrrolidine-1-carboxylate?
The InChIKey is PMEFRNWGGMTJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O7/c1-14(2,3)22-12(19)15-7-6-9(8-15)21-13(20)23-16-10(17)4-5-11(16)18/h9H,4-8H2,1-3H3.
What are the key properties of tert-butyl 3-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypyrrolidine-1-carboxylate?
tert-butyl 3-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypyrrolidine-1-carboxylate has a molecular weight of 328.32 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypyrrolidine-1-carboxylate is sourced from PubChem (CID 175191066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).