[(3S,4R,5R)-5-[(S)-hydroxy(phenyl)methyl]-1-methyl-2-oxo-4-phenylpyrrolidin-3-yl] acetate

C20H21NO4 — CID 91507692

IUPAC[(3S,4R,5R)-5-[(S)-hydroxy(phenyl)methyl]-1-methyl-2-oxo-4-phenylpyrrolidin-3-yl] acetate
SMILESCC(=O)O[C@@H]1C(=O)N(C)[C@@H]([C@@H](O)c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C20H21NO4/c1-13(22)25-19-16(14-9-5-3-6-10-14)17(21(2)20(19)24)18(23)15-11-7-4-8-12-15/h3-12,16-19,23H,1-2H3/t16-,17-,18+,19+/m1/s1
InChIKeyWJEZOJKXZMAWFF-YRXWBPOGSA-N
MW339.39 g/mol
LogP2.28
Rot. Bonds4

About [(3S,4R,5R)-5-[(S)-hydroxy(phenyl)methyl]-1-methyl-2-oxo-4-phenylpyrrolidin-3-yl] acetate

[(3S,4R,5R)-5-[(S)-hydroxy(phenyl)methyl]-1-methyl-2-oxo-4-phenylpyrrolidin-3-yl] acetate (PubChem CID 91507692) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is [(3S,4R,5R)-5-[(S)-hydroxy(phenyl)methyl]-1-methyl-2-oxo-4-phenylpyrrolidin-3-yl] acetate.

Molecular Properties

Compound Name[(3S,4R,5R)-5-[(S)-hydroxy(phenyl)methyl]-1-methyl-2-oxo-4-phenylpyrrolidin-3-yl] acetate
PubChem CID91507692
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name[(3S,4R,5R)-5-[(S)-hydroxy(phenyl)methyl]-1-methyl-2-oxo-4-phenylpyrrolidin-3-yl] acetate
SMILESCC(=O)O[C@@H]1C(=O)N(C)[C@@H]([C@@H](O)c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C20H21NO4/c1-13(22)25-19-16(14-9-5-3-6-10-14)17(21(2)20(19)24)18(23)15-11-7-4-8-12-15/h3-12,16-19,23H,1-2H3/t16-,17-,18+,19+/m1/s1
InChIKeyWJEZOJKXZMAWFF-YRXWBPOGSA-N
XLogP2.28
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3S,4R,5R)-5-[(S)-hydroxy(phenyl)methyl]-1-methyl-2-oxo-4-phenylpyrrolidin-3-yl] acetate 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

(+/-)-Clausenamide
CID 5315946
7-[(R)-2-((E)-3-Biphenyl-3-yl-3-hydroxy-propenyl)-5-oxo-pyrrolidin-1-yl]-heptanoic acid
CID 44290312
5-Methyl-3,7-diphenyl-2-oxa-5-azabicyclo[2.2.1]heptan-6-one
CID 13592840
(4R,5R)-5-[(S)-Hydroxy-(3-trifluoromethyl-phenyl)-methyl]-1-methyl-4-phenyl-pyrrolidin-2-one
CID 44397898
(4R,5R)-5-((S)-Biphenyl-3-yl-hydroxy-methyl)-1-methyl-4-phenyl-pyrrolidin-2-one
CID 44397951
(4S,5R)-4-(2-fluorophenyl)-5-[(S)-hydroxy-(3-phenylphenyl)methyl]-1-methylpyrrolidin-2-one
CID 73354020
(+)Clausenamide
CID 128412
L-Clausenamide
CID 9904294
(-)-Cis-Clausenamide
CID 10125525
(+)-Epi-Neoclausenamide
CID 10149518
(+)Neoclausenamide
CID 10149519
(-)-Epi-Clausenamide
CID 10149520

Frequently Asked Questions

What is the IUPAC name of [(3S,4R,5R)-5-[(S)-hydroxy(phenyl)methyl]-1-methyl-2-oxo-4-phenylpyrrolidin-3-yl] acetate?
The IUPAC name of [(3S,4R,5R)-5-[(S)-hydroxy(phenyl)methyl]-1-methyl-2-oxo-4-phenylpyrrolidin-3-yl] acetate (CID 91507692) is [(3S,4R,5R)-5-[(S)-hydroxy(phenyl)methyl]-1-methyl-2-oxo-4-phenylpyrrolidin-3-yl] acetate.
What is the SMILES notation for [(3S,4R,5R)-5-[(S)-hydroxy(phenyl)methyl]-1-methyl-2-oxo-4-phenylpyrrolidin-3-yl] acetate?
The canonical SMILES for [(3S,4R,5R)-5-[(S)-hydroxy(phenyl)methyl]-1-methyl-2-oxo-4-phenylpyrrolidin-3-yl] acetate is CC(=O)O[C@@H]1C(=O)N(C)[C@@H]([C@@H](O)c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of [(3S,4R,5R)-5-[(S)-hydroxy(phenyl)methyl]-1-methyl-2-oxo-4-phenylpyrrolidin-3-yl] acetate?
The InChIKey is WJEZOJKXZMAWFF-YRXWBPOGSA-N. The full InChI is InChI=1S/C20H21NO4/c1-13(22)25-19-16(14-9-5-3-6-10-14)17(21(2)20(19)24)18(23)15-11-7-4-8-12-15/h3-12,16-19,23H,1-2H3/t16-,17-,18+,19+/m1/s1.
What are the key properties of [(3S,4R,5R)-5-[(S)-hydroxy(phenyl)methyl]-1-methyl-2-oxo-4-phenylpyrrolidin-3-yl] acetate?
[(3S,4R,5R)-5-[(S)-hydroxy(phenyl)methyl]-1-methyl-2-oxo-4-phenylpyrrolidin-3-yl] acetate has a molecular weight of 339.39 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R,5R)-5-[(S)-hydroxy(phenyl)methyl]-1-methyl-2-oxo-4-phenylpyrrolidin-3-yl] acetate is sourced from PubChem (CID 91507692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).