(5R)-3,3,5-trimethyl-1-[(2S)-2-methyl-3-phenylpropanoyl]pyrrolidin-2-one

C17H23NO2 — CID 11076601

IUPAC(5R)-3,3,5-trimethyl-1-[(2S)-2-methyl-3-phenylpropanoyl]pyrrolidin-2-one
SMILESC[C@@H]1CC(C)(C)C(=O)N1C(=O)[C@@H](C)Cc1ccccc1
InChIInChI=1S/C17H23NO2/c1-12(10-14-8-6-5-7-9-14)15(19)18-13(2)11-17(3,4)16(18)20/h5-9,12-13H,10-11H2,1-4H3/t12-,13+/m0/s1
InChIKeyAOLODQCAOGBTAX-QWHCGFSZSA-N
MW273.38 g/mol
LogP3.04
Rot. Bonds3

About (5R)-3,3,5-trimethyl-1-[(2S)-2-methyl-3-phenylpropanoyl]pyrrolidin-2-one

(5R)-3,3,5-trimethyl-1-[(2S)-2-methyl-3-phenylpropanoyl]pyrrolidin-2-one (PubChem CID 11076601) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (5R)-3,3,5-trimethyl-1-[(2S)-2-methyl-3-phenylpropanoyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-3,3,5-trimethyl-1-[(2S)-2-methyl-3-phenylpropanoyl]pyrrolidin-2-one
PubChem CID11076601
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name(5R)-3,3,5-trimethyl-1-[(2S)-2-methyl-3-phenylpropanoyl]pyrrolidin-2-one
SMILESC[C@@H]1CC(C)(C)C(=O)N1C(=O)[C@@H](C)Cc1ccccc1
InChIInChI=1S/C17H23NO2/c1-12(10-14-8-6-5-7-9-14)15(19)18-13(2)11-17(3,4)16(18)20/h5-9,12-13H,10-11H2,1-4H3/t12-,13+/m0/s1
InChIKeyAOLODQCAOGBTAX-QWHCGFSZSA-N
XLogP3.04
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5R)-3,3,5-trimethyl-1-[(2S)-2-methyl-3-phenylpropanoyl]pyrrolidin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-3,3,5-trimethyl-1-[(2S)-2-methyl-3-phenylpropanoyl]pyrrolidin-2-one?
The IUPAC name of (5R)-3,3,5-trimethyl-1-[(2S)-2-methyl-3-phenylpropanoyl]pyrrolidin-2-one (CID 11076601) is (5R)-3,3,5-trimethyl-1-[(2S)-2-methyl-3-phenylpropanoyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-3,3,5-trimethyl-1-[(2S)-2-methyl-3-phenylpropanoyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-3,3,5-trimethyl-1-[(2S)-2-methyl-3-phenylpropanoyl]pyrrolidin-2-one is C[C@@H]1CC(C)(C)C(=O)N1C(=O)[C@@H](C)Cc1ccccc1.
What is the InChIKey of (5R)-3,3,5-trimethyl-1-[(2S)-2-methyl-3-phenylpropanoyl]pyrrolidin-2-one?
The InChIKey is AOLODQCAOGBTAX-QWHCGFSZSA-N. The full InChI is InChI=1S/C17H23NO2/c1-12(10-14-8-6-5-7-9-14)15(19)18-13(2)11-17(3,4)16(18)20/h5-9,12-13H,10-11H2,1-4H3/t12-,13+/m0/s1.
What are the key properties of (5R)-3,3,5-trimethyl-1-[(2S)-2-methyl-3-phenylpropanoyl]pyrrolidin-2-one?
(5R)-3,3,5-trimethyl-1-[(2S)-2-methyl-3-phenylpropanoyl]pyrrolidin-2-one has a molecular weight of 273.38 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3,3,5-trimethyl-1-[(2S)-2-methyl-3-phenylpropanoyl]pyrrolidin-2-one is sourced from PubChem (CID 11076601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).