3-methyl-N-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide

C11H22N2O — CID 102776765

IUPAC3-methyl-N-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide
SMILESCCC(C)(C)NC(=O)C1NCCC1C
InChIInChI=1S/C11H22N2O/c1-5-11(3,4)13-10(14)9-8(2)6-7-12-9/h8-9,12H,5-7H2,1-4H3,(H,13,14)
InChIKeyRJRXAZVOXRMFNL-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.29
Rot. Bonds3

About 3-methyl-N-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide

3-methyl-N-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide (PubChem CID 102776765) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-methyl-N-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide
PubChem CID102776765
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-methyl-N-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide
SMILESCCC(C)(C)NC(=O)C1NCCC1C
InChIInChI=1S/C11H22N2O/c1-5-11(3,4)13-10(14)9-8(2)6-7-12-9/h8-9,12H,5-7H2,1-4H3,(H,13,14)
InChIKeyRJRXAZVOXRMFNL-UHFFFAOYSA-N
XLogP1.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-methyl-N-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 3-methyl-N-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide (CID 102776765) is 3-methyl-N-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 3-methyl-N-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide is CCC(C)(C)NC(=O)C1NCCC1C.
What is the InChIKey of 3-methyl-N-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is RJRXAZVOXRMFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-5-11(3,4)13-10(14)9-8(2)6-7-12-9/h8-9,12H,5-7H2,1-4H3,(H,13,14).
What are the key properties of 3-methyl-N-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide?
3-methyl-N-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 198.31 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 102776765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).