methyl (3R,4S)-4-phenylpyrrolidine-3-carboxylate;hydrochloride

C12H16ClNO2 — CID 75488015

IUPACmethyl (3R,4S)-4-phenylpyrrolidine-3-carboxylate;hydrochloride
SMILESCOC(=O)[C@H]1CNC[C@@H]1c1ccccc1.Cl
InChIInChI=1S/C12H15NO2.ClH/c1-15-12(14)11-8-13-7-10(11)9-5-3-2-4-6-9;/h2-6,10-11,13H,7-8H2,1H3;1H/t10-,11+;/m1./s1
InChIKeyLBUJDEHQFGPGOH-DHXVBOOMSA-N
MW241.72 g/mol
LogP1.58
Rot. Bonds2

About methyl (3R,4S)-4-phenylpyrrolidine-3-carboxylate;hydrochloride

methyl (3R,4S)-4-phenylpyrrolidine-3-carboxylate;hydrochloride (PubChem CID 75488015) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is methyl (3R,4S)-4-phenylpyrrolidine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl (3R,4S)-4-phenylpyrrolidine-3-carboxylate;hydrochloride
PubChem CID75488015
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Namemethyl (3R,4S)-4-phenylpyrrolidine-3-carboxylate;hydrochloride
SMILESCOC(=O)[C@H]1CNC[C@@H]1c1ccccc1.Cl
InChIInChI=1S/C12H15NO2.ClH/c1-15-12(14)11-8-13-7-10(11)9-5-3-2-4-6-9;/h2-6,10-11,13H,7-8H2,1H3;1H/t10-,11+;/m1./s1
InChIKeyLBUJDEHQFGPGOH-DHXVBOOMSA-N
XLogP1.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (3R,4S)-4-phenylpyrrolidine-3-carboxylate;hydrochloride 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 methyl (3R,4S)-4-phenylpyrrolidine-3-carboxylate;hydrochloride?
The IUPAC name of methyl (3R,4S)-4-phenylpyrrolidine-3-carboxylate;hydrochloride (CID 75488015) is methyl (3R,4S)-4-phenylpyrrolidine-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl (3R,4S)-4-phenylpyrrolidine-3-carboxylate;hydrochloride?
The canonical SMILES for methyl (3R,4S)-4-phenylpyrrolidine-3-carboxylate;hydrochloride is COC(=O)[C@H]1CNC[C@@H]1c1ccccc1.Cl.
What is the InChIKey of methyl (3R,4S)-4-phenylpyrrolidine-3-carboxylate;hydrochloride?
The InChIKey is LBUJDEHQFGPGOH-DHXVBOOMSA-N. The full InChI is InChI=1S/C12H15NO2.ClH/c1-15-12(14)11-8-13-7-10(11)9-5-3-2-4-6-9;/h2-6,10-11,13H,7-8H2,1H3;1H/t10-,11+;/m1./s1.
What are the key properties of methyl (3R,4S)-4-phenylpyrrolidine-3-carboxylate;hydrochloride?
methyl (3R,4S)-4-phenylpyrrolidine-3-carboxylate;hydrochloride has a molecular weight of 241.72 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,4S)-4-phenylpyrrolidine-3-carboxylate;hydrochloride is sourced from PubChem (CID 75488015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).