2-methylpropyl [1-(2-methylpropyl)-5-oxopyrrolidin-3-yl] carbonate

C13H23NO4 — CID 68811557

IUPAC2-methylpropyl [1-(2-methylpropyl)-5-oxopyrrolidin-3-yl] carbonate
SMILESCC(C)COC(=O)OC1CC(=O)N(CC(C)C)C1
InChIInChI=1S/C13H23NO4/c1-9(2)6-14-7-11(5-12(14)15)18-13(16)17-8-10(3)4/h9-11H,5-8H2,1-4H3
InChIKeyMYUKWFWYWFQAOU-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.05
Rot. Bonds5

About 2-methylpropyl [1-(2-methylpropyl)-5-oxopyrrolidin-3-yl] carbonate

2-methylpropyl [1-(2-methylpropyl)-5-oxopyrrolidin-3-yl] carbonate (PubChem CID 68811557) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-methylpropyl [1-(2-methylpropyl)-5-oxopyrrolidin-3-yl] carbonate.

Molecular Properties

Compound Name2-methylpropyl [1-(2-methylpropyl)-5-oxopyrrolidin-3-yl] carbonate
PubChem CID68811557
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name2-methylpropyl [1-(2-methylpropyl)-5-oxopyrrolidin-3-yl] carbonate
SMILESCC(C)COC(=O)OC1CC(=O)N(CC(C)C)C1
InChIInChI=1S/C13H23NO4/c1-9(2)6-14-7-11(5-12(14)15)18-13(16)17-8-10(3)4/h9-11H,5-8H2,1-4H3
InChIKeyMYUKWFWYWFQAOU-UHFFFAOYSA-N
XLogP2.05
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl [1-(2-methylpropyl)-5-oxopyrrolidin-3-yl] carbonate?
The IUPAC name of 2-methylpropyl [1-(2-methylpropyl)-5-oxopyrrolidin-3-yl] carbonate (CID 68811557) is 2-methylpropyl [1-(2-methylpropyl)-5-oxopyrrolidin-3-yl] carbonate.
What is the SMILES notation for 2-methylpropyl [1-(2-methylpropyl)-5-oxopyrrolidin-3-yl] carbonate?
The canonical SMILES for 2-methylpropyl [1-(2-methylpropyl)-5-oxopyrrolidin-3-yl] carbonate is CC(C)COC(=O)OC1CC(=O)N(CC(C)C)C1.
What is the InChIKey of 2-methylpropyl [1-(2-methylpropyl)-5-oxopyrrolidin-3-yl] carbonate?
The InChIKey is MYUKWFWYWFQAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-9(2)6-14-7-11(5-12(14)15)18-13(16)17-8-10(3)4/h9-11H,5-8H2,1-4H3.
What are the key properties of 2-methylpropyl [1-(2-methylpropyl)-5-oxopyrrolidin-3-yl] carbonate?
2-methylpropyl [1-(2-methylpropyl)-5-oxopyrrolidin-3-yl] carbonate has a molecular weight of 257.33 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl [1-(2-methylpropyl)-5-oxopyrrolidin-3-yl] carbonate is sourced from PubChem (CID 68811557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).