(2S)-N-tert-butyl-3-ethylpyrrolidine-2-carboxamide

C11H22N2O — CID 54460294

IUPAC(2S)-N-tert-butyl-3-ethylpyrrolidine-2-carboxamide
SMILESCCC1CCN[C@@H]1C(=O)NC(C)(C)C
InChIInChI=1S/C11H22N2O/c1-5-8-6-7-12-9(8)10(14)13-11(2,3)4/h8-9,12H,5-7H2,1-4H3,(H,13,14)/t8?,9-/m0/s1
InChIKeyXBDRCCHYJAUCMV-GKAPJAKFSA-N
MW198.31 g/mol
LogP1.29
Rot. Bonds2

About (2S)-N-tert-butyl-3-ethylpyrrolidine-2-carboxamide

(2S)-N-tert-butyl-3-ethylpyrrolidine-2-carboxamide (PubChem CID 54460294) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (2S)-N-tert-butyl-3-ethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-tert-butyl-3-ethylpyrrolidine-2-carboxamide
PubChem CID54460294
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(2S)-N-tert-butyl-3-ethylpyrrolidine-2-carboxamide
SMILESCCC1CCN[C@@H]1C(=O)NC(C)(C)C
InChIInChI=1S/C11H22N2O/c1-5-8-6-7-12-9(8)10(14)13-11(2,3)4/h8-9,12H,5-7H2,1-4H3,(H,13,14)/t8?,9-/m0/s1
InChIKeyXBDRCCHYJAUCMV-GKAPJAKFSA-N
XLogP1.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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

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Related Compounds

(2R,3R)-3-ethylpyrrolidine-2-carboxylic acid
CID 10154109
(2R,3R)-N-tert-butyl-3-chloropyrrolidine-2-carboxamide
CID 67722565
3-methyl-N-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide
CID 102776765
N-(4-hydroxy-2-methylbutan-2-yl)-3-methylpyrrolidine-2-carboxamide
CID 102780103
3-propylpyrrolidine-2-carboxylic acid
CID 14482017
[(2S)-azetidin-2-yl]methyl N-tert-butylcarbamate
CID 175554542
3-propylpyrrolidine-2-carboxylic acid;hydrochloride
CID 14482018
1-[(2R)-azetidin-2-yl]-2,2-dimethylbutan-1-one
CID 166686766
(1S,2S,3S)-N-tert-butyl-2-ethyl-3-methylcyclopropane-1-carboxamide
CID 97038421
N-[2-(tert-butylamino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxamide
CID 79388327
(2S,3S)-3-(2-ethylbutyl)pyrrolidine-2-carboxylic acid
CID 129354189
N-tert-butyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 47003078

Frequently Asked Questions

What is the IUPAC name of (2S)-N-tert-butyl-3-ethylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-tert-butyl-3-ethylpyrrolidine-2-carboxamide (CID 54460294) is (2S)-N-tert-butyl-3-ethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-tert-butyl-3-ethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-tert-butyl-3-ethylpyrrolidine-2-carboxamide is CCC1CCN[C@@H]1C(=O)NC(C)(C)C.
What is the InChIKey of (2S)-N-tert-butyl-3-ethylpyrrolidine-2-carboxamide?
The InChIKey is XBDRCCHYJAUCMV-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H22N2O/c1-5-8-6-7-12-9(8)10(14)13-11(2,3)4/h8-9,12H,5-7H2,1-4H3,(H,13,14)/t8?,9-/m0/s1.
What are the key properties of (2S)-N-tert-butyl-3-ethylpyrrolidine-2-carboxamide?
(2S)-N-tert-butyl-3-ethylpyrrolidine-2-carboxamide has a molecular weight of 198.31 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-tert-butyl-3-ethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 54460294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).