(3R)-N-[[(1R,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C15H23F3N2O3 — CID 96526799

IUPAC(3R)-N-[[(1R,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESC[C@]1(CNC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)CCCC[C@@H]1O
InChIInChI=1S/C15H23F3N2O3/c1-14(5-3-2-4-11(14)21)8-19-13(23)10-6-12(22)20(7-10)9-15(16,17)18/h10-11,21H,2-9H2,1H3,(H,19,23)/t10-,11+,14-/m1/s1
InChIKeyYXXXHDFRSDJJRI-UHIISALHSA-N
MW336.35 g/mol
LogP1.45
Rot. Bonds4

About (3R)-N-[[(1R,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

(3R)-N-[[(1R,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 96526799) has the molecular formula C15H23F3N2O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is (3R)-N-[[(1R,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[(1R,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID96526799
Molecular FormulaC15H23F3N2O3
Molecular Weight336.35 g/mol
Exact Mass336.17
IUPAC Name(3R)-N-[[(1R,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESC[C@]1(CNC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)CCCC[C@@H]1O
InChIInChI=1S/C15H23F3N2O3/c1-14(5-3-2-4-11(14)21)8-19-13(23)10-6-12(22)20(7-10)9-15(16,17)18/h10-11,21H,2-9H2,1H3,(H,19,23)/t10-,11+,14-/m1/s1
InChIKeyYXXXHDFRSDJJRI-UHIISALHSA-N
XLogP1.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-cyclopropylcyclobutyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 71844671
4,4-difluoro-N-[[(1S,2R)-2-hydroxy-1-methylcyclohexyl]methyl]cyclohexane-1-carboxamide
CID 124568326
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120888824
(3R)-5-oxo-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 95130119
4-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]butanoic acid
CID 43170784
2-[1-[[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]cyclobutyl]acetic acid
CID 129466521
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 120945140
5-oxo-N-(1-phenylcyclohexyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 86948605
N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 60569286
N-[(2R)-2-(ethylamino)propyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120652292
4-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]piperazine-2,6-dione
CID 66083143
N-(4-hydroxy-2-methylbutan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 115968687

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[(1R,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[[(1R,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 96526799) is (3R)-N-[[(1R,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[[(1R,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[[(1R,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is C[C@]1(CNC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)CCCC[C@@H]1O.
What is the InChIKey of (3R)-N-[[(1R,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is YXXXHDFRSDJJRI-UHIISALHSA-N. The full InChI is InChI=1S/C15H23F3N2O3/c1-14(5-3-2-4-11(14)21)8-19-13(23)10-6-12(22)20(7-10)9-15(16,17)18/h10-11,21H,2-9H2,1H3,(H,19,23)/t10-,11+,14-/m1/s1.
What are the key properties of (3R)-N-[[(1R,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
(3R)-N-[[(1R,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[(1R,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 96526799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).