ditert-butyl 2-methyl-5-oxopyrrolidine-1,2-dicarboxylate

C15H25NO5 — CID 66982058

IUPACditert-butyl 2-methyl-5-oxopyrrolidine-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)CCC1(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H25NO5/c1-13(2,3)20-11(18)15(7)9-8-10(17)16(15)12(19)21-14(4,5)6/h8-9H2,1-7H3
InChIKeyORKNGPXCDFIMEM-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.64
Rot. Bonds1

About ditert-butyl 2-methyl-5-oxopyrrolidine-1,2-dicarboxylate

ditert-butyl 2-methyl-5-oxopyrrolidine-1,2-dicarboxylate (PubChem CID 66982058) has the molecular formula C15H25NO5 and a molecular weight of 299.37 g/mol. Its IUPAC name is ditert-butyl 2-methyl-5-oxopyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Nameditert-butyl 2-methyl-5-oxopyrrolidine-1,2-dicarboxylate
PubChem CID66982058
Molecular FormulaC15H25NO5
Molecular Weight299.37 g/mol
Exact Mass299.17
IUPAC Nameditert-butyl 2-methyl-5-oxopyrrolidine-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)CCC1(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H25NO5/c1-13(2,3)20-11(18)15(7)9-8-10(17)16(15)12(19)21-14(4,5)6/h8-9H2,1-7H3
InChIKeyORKNGPXCDFIMEM-UHFFFAOYSA-N
XLogP2.64
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ditert-butyl 2-methyl-5-oxopyrrolidine-1,2-dicarboxylate?
The IUPAC name of ditert-butyl 2-methyl-5-oxopyrrolidine-1,2-dicarboxylate (CID 66982058) is ditert-butyl 2-methyl-5-oxopyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for ditert-butyl 2-methyl-5-oxopyrrolidine-1,2-dicarboxylate?
The canonical SMILES for ditert-butyl 2-methyl-5-oxopyrrolidine-1,2-dicarboxylate is CC(C)(C)OC(=O)N1C(=O)CCC1(C)C(=O)OC(C)(C)C.
What is the InChIKey of ditert-butyl 2-methyl-5-oxopyrrolidine-1,2-dicarboxylate?
The InChIKey is ORKNGPXCDFIMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO5/c1-13(2,3)20-11(18)15(7)9-8-10(17)16(15)12(19)21-14(4,5)6/h8-9H2,1-7H3.
What are the key properties of ditert-butyl 2-methyl-5-oxopyrrolidine-1,2-dicarboxylate?
ditert-butyl 2-methyl-5-oxopyrrolidine-1,2-dicarboxylate has a molecular weight of 299.37 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl 2-methyl-5-oxopyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 66982058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).