(2S)-2-tert-butyl-N,2-dimethylpyrrolidine-1-carboxamide

C11H22N2O — CID 69164942

IUPAC(2S)-2-tert-butyl-N,2-dimethylpyrrolidine-1-carboxamide
SMILESCNC(=O)N1CCC[C@@]1(C)C(C)(C)C
InChIInChI=1S/C11H22N2O/c1-10(2,3)11(4)7-6-8-13(11)9(14)12-5/h6-8H2,1-5H3,(H,12,14)/t11-/m0/s1
InChIKeyFUHILYQFASUTMD-NSHDSACASA-N
MW198.31 g/mol
LogP2.23
Rot. Bonds

About (2S)-2-tert-butyl-N,2-dimethylpyrrolidine-1-carboxamide

(2S)-2-tert-butyl-N,2-dimethylpyrrolidine-1-carboxamide (PubChem CID 69164942) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (2S)-2-tert-butyl-N,2-dimethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-tert-butyl-N,2-dimethylpyrrolidine-1-carboxamide
PubChem CID69164942
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(2S)-2-tert-butyl-N,2-dimethylpyrrolidine-1-carboxamide
SMILESCNC(=O)N1CCC[C@@]1(C)C(C)(C)C
InChIInChI=1S/C11H22N2O/c1-10(2,3)11(4)7-6-8-13(11)9(14)12-5/h6-8H2,1-5H3,(H,12,14)/t11-/m0/s1
InChIKeyFUHILYQFASUTMD-NSHDSACASA-N
XLogP2.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-tert-butyl-N,2-dimethylpyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-tert-butyl-N,2-dimethylpyrrolidine-1-carboxamide (CID 69164942) is (2S)-2-tert-butyl-N,2-dimethylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-tert-butyl-N,2-dimethylpyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-tert-butyl-N,2-dimethylpyrrolidine-1-carboxamide is CNC(=O)N1CCC[C@@]1(C)C(C)(C)C.
What is the InChIKey of (2S)-2-tert-butyl-N,2-dimethylpyrrolidine-1-carboxamide?
The InChIKey is FUHILYQFASUTMD-NSHDSACASA-N. The full InChI is InChI=1S/C11H22N2O/c1-10(2,3)11(4)7-6-8-13(11)9(14)12-5/h6-8H2,1-5H3,(H,12,14)/t11-/m0/s1.
What are the key properties of (2S)-2-tert-butyl-N,2-dimethylpyrrolidine-1-carboxamide?
(2S)-2-tert-butyl-N,2-dimethylpyrrolidine-1-carboxamide has a molecular weight of 198.31 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-tert-butyl-N,2-dimethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 69164942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).