[(3R)-1-ethylpyrrolidin-3-yl] (2R)-2-(2,4-dimethylphenyl)-2-hydroxy-2-phenylacetate

C22H27NO3 — CID 97355671

IUPAC[(3R)-1-ethylpyrrolidin-3-yl] (2R)-2-(2,4-dimethylphenyl)-2-hydroxy-2-phenylacetate
SMILESCCN1CC[C@@H](OC(=O)[C@@](O)(c2ccccc2)c2ccc(C)cc2C)C1
InChIInChI=1S/C22H27NO3/c1-4-23-13-12-19(15-23)26-21(24)22(25,18-8-6-5-7-9-18)20-11-10-16(2)14-17(20)3/h5-11,14,19,25H,4,12-13,15H2,1-3H3/t19-,22-/m1/s1
InChIKeyLFDYMFMJCQVADI-DENIHFKCSA-N
MW353.46 g/mol
LogP3.18
Rot. Bonds5

About [(3R)-1-ethylpyrrolidin-3-yl] (2R)-2-(2,4-dimethylphenyl)-2-hydroxy-2-phenylacetate

[(3R)-1-ethylpyrrolidin-3-yl] (2R)-2-(2,4-dimethylphenyl)-2-hydroxy-2-phenylacetate (PubChem CID 97355671) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is [(3R)-1-ethylpyrrolidin-3-yl] (2R)-2-(2,4-dimethylphenyl)-2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Name[(3R)-1-ethylpyrrolidin-3-yl] (2R)-2-(2,4-dimethylphenyl)-2-hydroxy-2-phenylacetate
PubChem CID97355671
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name[(3R)-1-ethylpyrrolidin-3-yl] (2R)-2-(2,4-dimethylphenyl)-2-hydroxy-2-phenylacetate
SMILESCCN1CC[C@@H](OC(=O)[C@@](O)(c2ccccc2)c2ccc(C)cc2C)C1
InChIInChI=1S/C22H27NO3/c1-4-23-13-12-19(15-23)26-21(24)22(25,18-8-6-5-7-9-18)20-11-10-16(2)14-17(20)3/h5-11,14,19,25H,4,12-13,15H2,1-3H3/t19-,22-/m1/s1
InChIKeyLFDYMFMJCQVADI-DENIHFKCSA-N
XLogP3.18
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3R)-1-ethylpyrrolidin-3-yl] (2R)-2-(2,4-dimethylphenyl)-2-hydroxy-2-phenylacetate 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

[(3S)-1-ethylpyrrolidin-3-yl] (2S)-2-(2,4-dimethylphenyl)-2-hydroxy-2-phenylacetate
CID 129374493
(1-ethylpyrrolidin-3-yl) 2-(2,4-dimethylphenyl)-2-hydroxy-2-phenylacetate;hydrochloride
CID 117067160
methyl 2-(2,4-dimethylphenyl)-2-hydroxy-2-phenylacetate
CID 62214661
[(3R)-1-ethylpyrrolidin-3-yl] 2,2-dimethylpropanoate
CID 97355933
(1-butylpyrrolidin-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate;hydrochloride
CID 138396684
ethyl 3-[3-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]oxypyrrolidin-1-yl]propanoate;hydrobromide
CID 175811913
[(3R)-1-(2-hydroxyethyl)piperidin-3-yl] 2-hydroxy-2,2-diphenylacetate
CID 10665893
(1-methylpyrrolidin-3-yl) (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 59751377
[1-[(4-nitrophenyl)methyl]piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate
CID 15636670
3-(3-methoxypyrrolidin-1-yl)-2-methyl-2-phenylpropanoic acid
CID 103539211
(1-ethylpyrrolidin-3-yl) 4-aminobenzoate
CID 117066621
[(3R)-1-methylpiperidin-3-yl] 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 118984357

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-ethylpyrrolidin-3-yl] (2R)-2-(2,4-dimethylphenyl)-2-hydroxy-2-phenylacetate?
The IUPAC name of [(3R)-1-ethylpyrrolidin-3-yl] (2R)-2-(2,4-dimethylphenyl)-2-hydroxy-2-phenylacetate (CID 97355671) is [(3R)-1-ethylpyrrolidin-3-yl] (2R)-2-(2,4-dimethylphenyl)-2-hydroxy-2-phenylacetate.
What is the SMILES notation for [(3R)-1-ethylpyrrolidin-3-yl] (2R)-2-(2,4-dimethylphenyl)-2-hydroxy-2-phenylacetate?
The canonical SMILES for [(3R)-1-ethylpyrrolidin-3-yl] (2R)-2-(2,4-dimethylphenyl)-2-hydroxy-2-phenylacetate is CCN1CC[C@@H](OC(=O)[C@@](O)(c2ccccc2)c2ccc(C)cc2C)C1.
What is the InChIKey of [(3R)-1-ethylpyrrolidin-3-yl] (2R)-2-(2,4-dimethylphenyl)-2-hydroxy-2-phenylacetate?
The InChIKey is LFDYMFMJCQVADI-DENIHFKCSA-N. The full InChI is InChI=1S/C22H27NO3/c1-4-23-13-12-19(15-23)26-21(24)22(25,18-8-6-5-7-9-18)20-11-10-16(2)14-17(20)3/h5-11,14,19,25H,4,12-13,15H2,1-3H3/t19-,22-/m1/s1.
What are the key properties of [(3R)-1-ethylpyrrolidin-3-yl] (2R)-2-(2,4-dimethylphenyl)-2-hydroxy-2-phenylacetate?
[(3R)-1-ethylpyrrolidin-3-yl] (2R)-2-(2,4-dimethylphenyl)-2-hydroxy-2-phenylacetate has a molecular weight of 353.46 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-ethylpyrrolidin-3-yl] (2R)-2-(2,4-dimethylphenyl)-2-hydroxy-2-phenylacetate is sourced from PubChem (CID 97355671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).