2,2-ditert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylic acid

C13H24N2O3 — CID 67321518

IUPAC2,2-ditert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylic acid
SMILESCN1C(=O)CN(C(=O)O)C1(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H24N2O3/c1-11(2,3)13(12(4,5)6)14(7)9(16)8-15(13)10(17)18/h8H2,1-7H3,(H,17,18)
InChIKeyIJPGSNBPUBLTAH-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.23
Rot. Bonds

About 2,2-ditert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylic acid

2,2-ditert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylic acid (PubChem CID 67321518) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2,2-ditert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylic acid.

Molecular Properties

Compound Name2,2-ditert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylic acid
PubChem CID67321518
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2,2-ditert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylic acid
SMILESCN1C(=O)CN(C(=O)O)C1(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H24N2O3/c1-11(2,3)13(12(4,5)6)14(7)9(16)8-15(13)10(17)18/h8H2,1-7H3,(H,17,18)
InChIKeyIJPGSNBPUBLTAH-UHFFFAOYSA-N
XLogP2.23
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-ditert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylic acid?
The IUPAC name of 2,2-ditert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylic acid (CID 67321518) is 2,2-ditert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylic acid.
What is the SMILES notation for 2,2-ditert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylic acid?
The canonical SMILES for 2,2-ditert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylic acid is CN1C(=O)CN(C(=O)O)C1(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 2,2-ditert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylic acid?
The InChIKey is IJPGSNBPUBLTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-11(2,3)13(12(4,5)6)14(7)9(16)8-15(13)10(17)18/h8H2,1-7H3,(H,17,18).
What are the key properties of 2,2-ditert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylic acid?
2,2-ditert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-ditert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylic acid is sourced from PubChem (CID 67321518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).