(4S)-3-tert-butyl-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

C13H23F3N2O — CID 130358906

IUPAC(4S)-3-tert-butyl-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESCC[C@@H]1CN(C(=O)NCC(F)(F)F)CC1C(C)(C)C
InChIInChI=1S/C13H23F3N2O/c1-5-9-6-18(7-10(9)12(2,3)4)11(19)17-8-13(14,15)16/h9-10H,5-8H2,1-4H3,(H,17,19)/t9-,10?/m1/s1
InChIKeyVZFAHEXCQRGADA-YHMJZVADSA-N
MW280.33 g/mol
LogP3.26
Rot. Bonds2

About (4S)-3-tert-butyl-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

(4S)-3-tert-butyl-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (PubChem CID 130358906) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is (4S)-3-tert-butyl-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(4S)-3-tert-butyl-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
PubChem CID130358906
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name(4S)-3-tert-butyl-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESCC[C@@H]1CN(C(=O)NCC(F)(F)F)CC1C(C)(C)C
InChIInChI=1S/C13H23F3N2O/c1-5-9-6-18(7-10(9)12(2,3)4)11(19)17-8-13(14,15)16/h9-10H,5-8H2,1-4H3,(H,17,19)/t9-,10?/m1/s1
InChIKeyVZFAHEXCQRGADA-YHMJZVADSA-N
XLogP3.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4S)-3-tert-butyl-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

3-fluoro-3-methyl-N-(spiro[2.2]pentan-2-ylmethyl)pyrrolidine-1-carboxamide
CID 126794090
4-tert-butyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 58394886
3-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 115686644
2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 118303133
(2S)-2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 124192542
(3R)-3-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 138498620
1-[3-[1-(Trifluoromethyl)cyclopropyl]propyl]imidazolidin-2-one
CID 139389092
(3S)-3-ethyl-4-(2-methylbutan-2-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 145355845
(3S)-3-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 146189933
N-(2,2,2-trifluoroethyl)-5-azaspiro[2.4]heptane-5-carboxamide
CID 155123284
2-tert-butyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 155201045
(3S)-3-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 155607732

Frequently Asked Questions

What is the IUPAC name of (4S)-3-tert-butyl-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (4S)-3-tert-butyl-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (CID 130358906) is (4S)-3-tert-butyl-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (4S)-3-tert-butyl-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (4S)-3-tert-butyl-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is CC[C@@H]1CN(C(=O)NCC(F)(F)F)CC1C(C)(C)C.
What is the InChIKey of (4S)-3-tert-butyl-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The InChIKey is VZFAHEXCQRGADA-YHMJZVADSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-5-9-6-18(7-10(9)12(2,3)4)11(19)17-8-13(14,15)16/h9-10H,5-8H2,1-4H3,(H,17,19)/t9-,10?/m1/s1.
What are the key properties of (4S)-3-tert-butyl-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
(4S)-3-tert-butyl-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-tert-butyl-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 130358906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).