(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

C16H19F3N2O3 — CID 9364923

IUPAC(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCOC[C@H](C)N1C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)CC1=O
InChIInChI=1S/C16H19F3N2O3/c1-10(9-24-2)21-8-11(6-14(21)22)15(23)20-13-5-3-4-12(7-13)16(17,18)19/h3-5,7,10-11H,6,8-9H2,1-2H3,(H,20,23)/t10-,11+/m0/s1
InChIKeyPPZORMIOOLIYLV-WDEREUQCSA-N
MW344.33 g/mol
LogP2.53
Rot. Bonds5

About (3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 9364923) has the molecular formula C16H19F3N2O3 and a molecular weight of 344.33 g/mol. Its IUPAC name is (3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID9364923
Molecular FormulaC16H19F3N2O3
Molecular Weight344.33 g/mol
Exact Mass344.13
IUPAC Name(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCOC[C@H](C)N1C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)CC1=O
InChIInChI=1S/C16H19F3N2O3/c1-10(9-24-2)21-8-11(6-14(21)22)15(23)20-13-5-3-4-12(7-13)16(17,18)19/h3-5,7,10-11H,6,8-9H2,1-2H3,(H,20,23)/t10-,11+/m0/s1
InChIKeyPPZORMIOOLIYLV-WDEREUQCSA-N
XLogP2.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(3-chlorophenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 41066163
(3S)-N-(3-methoxyphenyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365141
(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 9364904
(3R)-N-(3,5-dimethylphenyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 7449876
(3S)-N-(2,3-dihydro-1H-inden-5-yl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 7449924
dimethyl 5-[[(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,3-dicarboxylate
CID 9364912
(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 9373685
(3S)-N-(1,3-benzodioxol-5-yl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9373432
(3R)-N-(1,3-benzodioxol-5-yl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9373430
(3S)-N-(2-bromophenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365320
1-butan-2-yl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113182204
(3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 9365209

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 9364923) is (3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is COC[C@H](C)N1C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)CC1=O.
What is the InChIKey of (3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is PPZORMIOOLIYLV-WDEREUQCSA-N. The full InChI is InChI=1S/C16H19F3N2O3/c1-10(9-24-2)21-8-11(6-14(21)22)15(23)20-13-5-3-4-12(7-13)16(17,18)19/h3-5,7,10-11H,6,8-9H2,1-2H3,(H,20,23)/t10-,11+/m0/s1.
What are the key properties of (3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 344.33 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 9364923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).