(3S)-1-tert-butyl-N,N-dimethylpyrrolidine-3-carboxamide

C11H22N2O — CID 59439135

IUPAC(3S)-1-tert-butyl-N,N-dimethylpyrrolidine-3-carboxamide
SMILESCN(C)C(=O)[C@H]1CCN(C(C)(C)C)C1
InChIInChI=1S/C11H22N2O/c1-11(2,3)13-7-6-9(8-13)10(14)12(4)5/h9H,6-8H2,1-5H3/t9-/m0/s1
InChIKeyKKOLGAOFBGUNPS-VIFPVBQESA-N
MW198.31 g/mol
LogP1.20
Rot. Bonds1

About (3S)-1-tert-butyl-N,N-dimethylpyrrolidine-3-carboxamide

(3S)-1-tert-butyl-N,N-dimethylpyrrolidine-3-carboxamide (PubChem CID 59439135) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (3S)-1-tert-butyl-N,N-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-tert-butyl-N,N-dimethylpyrrolidine-3-carboxamide
PubChem CID59439135
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(3S)-1-tert-butyl-N,N-dimethylpyrrolidine-3-carboxamide
SMILESCN(C)C(=O)[C@H]1CCN(C(C)(C)C)C1
InChIInChI=1S/C11H22N2O/c1-11(2,3)13-7-6-9(8-13)10(14)12(4)5/h9H,6-8H2,1-5H3/t9-/m0/s1
InChIKeyKKOLGAOFBGUNPS-VIFPVBQESA-N
XLogP1.20
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-tert-butyl-N,N-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-tert-butyl-N,N-dimethylpyrrolidine-3-carboxamide (CID 59439135) is (3S)-1-tert-butyl-N,N-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-tert-butyl-N,N-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-tert-butyl-N,N-dimethylpyrrolidine-3-carboxamide is CN(C)C(=O)[C@H]1CCN(C(C)(C)C)C1.
What is the InChIKey of (3S)-1-tert-butyl-N,N-dimethylpyrrolidine-3-carboxamide?
The InChIKey is KKOLGAOFBGUNPS-VIFPVBQESA-N. The full InChI is InChI=1S/C11H22N2O/c1-11(2,3)13-7-6-9(8-13)10(14)12(4)5/h9H,6-8H2,1-5H3/t9-/m0/s1.
What are the key properties of (3S)-1-tert-butyl-N,N-dimethylpyrrolidine-3-carboxamide?
(3S)-1-tert-butyl-N,N-dimethylpyrrolidine-3-carboxamide has a molecular weight of 198.31 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-tert-butyl-N,N-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 59439135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).