ethyl (3R,4R)-4-methyl-4-phenylpyrrolidine-3-carboxylate

C14H19NO2 — CID 97357628

IUPACethyl (3R,4R)-4-methyl-4-phenylpyrrolidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CNC[C@@]1(C)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-3-17-13(16)12-9-15-10-14(12,2)11-7-5-4-6-8-11/h4-8,12,15H,3,9-10H2,1-2H3/t12-,14+/m1/s1
InChIKeyZZDBUIZTYKSKSH-OCCSQVGLSA-N
MW233.31 g/mol
LogP1.73
Rot. Bonds3

About ethyl (3R,4R)-4-methyl-4-phenylpyrrolidine-3-carboxylate

ethyl (3R,4R)-4-methyl-4-phenylpyrrolidine-3-carboxylate (PubChem CID 97357628) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is ethyl (3R,4R)-4-methyl-4-phenylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R,4R)-4-methyl-4-phenylpyrrolidine-3-carboxylate
PubChem CID97357628
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Nameethyl (3R,4R)-4-methyl-4-phenylpyrrolidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CNC[C@@]1(C)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-3-17-13(16)12-9-15-10-14(12,2)11-7-5-4-6-8-11/h4-8,12,15H,3,9-10H2,1-2H3/t12-,14+/m1/s1
InChIKeyZZDBUIZTYKSKSH-OCCSQVGLSA-N
XLogP1.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl (3R,4R)-4-methyl-4-phenylpyrrolidine-3-carboxylate 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

ethyl 4-methyl-4-pyridin-4-ylpyrrolidine-3-carboxylate
CID 114486700
ethyl 4-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylate
CID 114486741
ethyl 4-methyl-4-(3-methylpyrazin-2-yl)pyrrolidine-3-carboxylate
CID 114080486
ethyl 4-ethyl-4-(4-methylphenyl)pyrrolidine-3-carboxylate
CID 114486738
cis-ethyl (1R,2S)-2-carbamoyl-2-phenylcyclopropane-1-carboxylate
CID 121371274
cis-ethyl (1R,2S)-2-acetyl-2-phenylcyclopropane-1-carboxylate
CID 90361588
ethyl 4-hydroxy-4-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxylate
CID 10967911
ethyl 4-ethyl-4-(2-fluorophenyl)pyrrolidine-3-carboxylate
CID 114486764
cis-ethyl (1R,2R)-2-fluoro-2-phenylcyclopropane-1-carboxylate;methane
CID 158468057
methyl 4-(3-fluorophenyl)-4-methylpyrrolidine-3-carboxylate
CID 114486517
ethyl 4-[(3-fluorophenyl)methyl]-4-methylpyrrolidine-3-carboxylate
CID 114834625
4-(3-methoxyphenyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63939230

Frequently Asked Questions

What is the IUPAC name of ethyl (3R,4R)-4-methyl-4-phenylpyrrolidine-3-carboxylate?
The IUPAC name of ethyl (3R,4R)-4-methyl-4-phenylpyrrolidine-3-carboxylate (CID 97357628) is ethyl (3R,4R)-4-methyl-4-phenylpyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl (3R,4R)-4-methyl-4-phenylpyrrolidine-3-carboxylate?
The canonical SMILES for ethyl (3R,4R)-4-methyl-4-phenylpyrrolidine-3-carboxylate is CCOC(=O)[C@H]1CNC[C@@]1(C)c1ccccc1.
What is the InChIKey of ethyl (3R,4R)-4-methyl-4-phenylpyrrolidine-3-carboxylate?
The InChIKey is ZZDBUIZTYKSKSH-OCCSQVGLSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-17-13(16)12-9-15-10-14(12,2)11-7-5-4-6-8-11/h4-8,12,15H,3,9-10H2,1-2H3/t12-,14+/m1/s1.
What are the key properties of ethyl (3R,4R)-4-methyl-4-phenylpyrrolidine-3-carboxylate?
ethyl (3R,4R)-4-methyl-4-phenylpyrrolidine-3-carboxylate has a molecular weight of 233.31 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R,4R)-4-methyl-4-phenylpyrrolidine-3-carboxylate is sourced from PubChem (CID 97357628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).