(2S)-2-methyl-5-oxo-N-[3-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyrrolidine-2-carboxamide

C14H15F3N2O3 — CID 166279990

IUPAC(2S)-2-methyl-5-oxo-N-[3-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyrrolidine-2-carboxamide
SMILESC[C@@]1(C(=O)Nc2cccc(C(O)C(F)(F)F)c2)CCC(=O)N1
InChIInChI=1S/C14H15F3N2O3/c1-13(6-5-10(20)19-13)12(22)18-9-4-2-3-8(7-9)11(21)14(15,16)17/h2-4,7,11,21H,5-6H2,1H3,(H,18,22)(H,19,20)/t11?,13-/m0/s1
InChIKeyCCVZFFCJZBBEND-YUZLPWPTSA-N
MW316.28 g/mol
LogP1.89
Rot. Bonds3

About (2S)-2-methyl-5-oxo-N-[3-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyrrolidine-2-carboxamide

(2S)-2-methyl-5-oxo-N-[3-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 166279990) has the molecular formula C14H15F3N2O3 and a molecular weight of 316.28 g/mol. Its IUPAC name is (2S)-2-methyl-5-oxo-N-[3-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-2-methyl-5-oxo-N-[3-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID166279990
Molecular FormulaC14H15F3N2O3
Molecular Weight316.28 g/mol
Exact Mass316.10
IUPAC Name(2S)-2-methyl-5-oxo-N-[3-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyrrolidine-2-carboxamide
SMILESC[C@@]1(C(=O)Nc2cccc(C(O)C(F)(F)F)c2)CCC(=O)N1
InChIInChI=1S/C14H15F3N2O3/c1-13(6-5-10(20)19-13)12(22)18-9-4-2-3-8(7-9)11(21)14(15,16)17/h2-4,7,11,21H,5-6H2,1H3,(H,18,22)(H,19,20)/t11?,13-/m0/s1
InChIKeyCCVZFFCJZBBEND-YUZLPWPTSA-N
XLogP1.89
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-5-oxo-N-[3-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-2-methyl-5-oxo-N-[3-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyrrolidine-2-carboxamide (CID 166279990) is (2S)-2-methyl-5-oxo-N-[3-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-2-methyl-5-oxo-N-[3-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-2-methyl-5-oxo-N-[3-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyrrolidine-2-carboxamide is C[C@@]1(C(=O)Nc2cccc(C(O)C(F)(F)F)c2)CCC(=O)N1.
What is the InChIKey of (2S)-2-methyl-5-oxo-N-[3-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is CCVZFFCJZBBEND-YUZLPWPTSA-N. The full InChI is InChI=1S/C14H15F3N2O3/c1-13(6-5-10(20)19-13)12(22)18-9-4-2-3-8(7-9)11(21)14(15,16)17/h2-4,7,11,21H,5-6H2,1H3,(H,18,22)(H,19,20)/t11?,13-/m0/s1.
What are the key properties of (2S)-2-methyl-5-oxo-N-[3-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyrrolidine-2-carboxamide?
(2S)-2-methyl-5-oxo-N-[3-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 316.28 g/mol, XLogP of 1.89, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-5-oxo-N-[3-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 166279990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).