ethyl 2-(1-benzyl-5-phenylpyrrolidin-3-yl)acetate

C21H25NO2 — CID 12070395

IUPACethyl 2-(1-benzyl-5-phenylpyrrolidin-3-yl)acetate
SMILESCCOC(=O)CC1CC(c2ccccc2)N(Cc2ccccc2)C1
InChIInChI=1S/C21H25NO2/c1-2-24-21(23)14-18-13-20(19-11-7-4-8-12-19)22(16-18)15-17-9-5-3-6-10-17/h3-12,18,20H,2,13-16H2,1H3
InChIKeySLUDJXQZLVSOKM-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.20
Rot. Bonds6

About ethyl 2-(1-benzyl-5-phenylpyrrolidin-3-yl)acetate

ethyl 2-(1-benzyl-5-phenylpyrrolidin-3-yl)acetate (PubChem CID 12070395) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is ethyl 2-(1-benzyl-5-phenylpyrrolidin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-benzyl-5-phenylpyrrolidin-3-yl)acetate
PubChem CID12070395
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Nameethyl 2-(1-benzyl-5-phenylpyrrolidin-3-yl)acetate
SMILESCCOC(=O)CC1CC(c2ccccc2)N(Cc2ccccc2)C1
InChIInChI=1S/C21H25NO2/c1-2-24-21(23)14-18-13-20(19-11-7-4-8-12-19)22(16-18)15-17-9-5-3-6-10-17/h3-12,18,20H,2,13-16H2,1H3
InChIKeySLUDJXQZLVSOKM-UHFFFAOYSA-N
XLogP4.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(1-benzyl-5-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

(R)-Methyl 3-(4'-(2-(2-Methylpyrrolidin-1-yl)ethyl)biphenyl-4-yl)propanoate
CID 78324787
(R)-Ethyl 3-(4'-(2-(2-Methylpyrrolidin-1-yl)ethyl)biphenyl-4-yl)propanoate
CID 78324789
methyl (1R,2S,3S,5S)-8-benzyl-3-(4-iodophenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 10551946
methyl (1R,2S,3S,5S)-3-(4-iodophenyl)-8-[(2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 10600622
8-Benzyl-3-(4-fluoro-phenyl)-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester
CID 44297830
3-((3S,5R)-8-Methyl-3-phenyl-8-aza-bicyclo[3.2.1]oct-2-yl)-propionic acid methyl ester
CID 44350179
8-Methyl-3-phenyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid isopropyl ester
CID 44350498
methyl 3-[(2S,3S)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octan-2-yl]propanoate
CID 44354267
3-(8-Methyl-3-phenyl-8-aza-bicyclo[3.2.1]oct-2-yl)-propionic acid methyl ester
CID 44381754
methyl (2S,5R)-3-(4-iodophenyl)-8-[(2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 46877788
8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 8-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)-, ethyl ester, (1R,2S,3S,5S)-
CID 57398645
methyl (2S,3S)-8-benzyl-3-(4-iodophenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 71456261

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-benzyl-5-phenylpyrrolidin-3-yl)acetate?
The IUPAC name of ethyl 2-(1-benzyl-5-phenylpyrrolidin-3-yl)acetate (CID 12070395) is ethyl 2-(1-benzyl-5-phenylpyrrolidin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(1-benzyl-5-phenylpyrrolidin-3-yl)acetate?
The canonical SMILES for ethyl 2-(1-benzyl-5-phenylpyrrolidin-3-yl)acetate is CCOC(=O)CC1CC(c2ccccc2)N(Cc2ccccc2)C1.
What is the InChIKey of ethyl 2-(1-benzyl-5-phenylpyrrolidin-3-yl)acetate?
The InChIKey is SLUDJXQZLVSOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-2-24-21(23)14-18-13-20(19-11-7-4-8-12-19)22(16-18)15-17-9-5-3-6-10-17/h3-12,18,20H,2,13-16H2,1H3.
What are the key properties of ethyl 2-(1-benzyl-5-phenylpyrrolidin-3-yl)acetate?
ethyl 2-(1-benzyl-5-phenylpyrrolidin-3-yl)acetate has a molecular weight of 323.44 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-benzyl-5-phenylpyrrolidin-3-yl)acetate is sourced from PubChem (CID 12070395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).