dimethyl (2R,3R,5S)-5-hydroxy-1,2,3-triphenylpyrrolidine-2,5-dicarboxylate

C26H25NO5 — CID 102517818

IUPACdimethyl (2R,3R,5S)-5-hydroxy-1,2,3-triphenylpyrrolidine-2,5-dicarboxylate
SMILESCOC(=O)[C@]1(c2ccccc2)[C@@H](c2ccccc2)C[C@](O)(C(=O)OC)N1c1ccccc1
InChIInChI=1S/C26H25NO5/c1-31-23(28)25(30)18-22(19-12-6-3-7-13-19)26(24(29)32-2,20-14-8-4-9-15-20)27(25)21-16-10-5-11-17-21/h3-17,22,30H,18H2,1-2H3/t22-,25+,26+/m1/s1
InChIKeyYWGYKIPESOXFJQ-RZFJZAQRSA-N
MW431.49 g/mol
LogP3.61
Rot. Bonds5

About dimethyl (2R,3R,5S)-5-hydroxy-1,2,3-triphenylpyrrolidine-2,5-dicarboxylate

dimethyl (2R,3R,5S)-5-hydroxy-1,2,3-triphenylpyrrolidine-2,5-dicarboxylate (PubChem CID 102517818) has the molecular formula C26H25NO5 and a molecular weight of 431.49 g/mol. Its IUPAC name is dimethyl (2R,3R,5S)-5-hydroxy-1,2,3-triphenylpyrrolidine-2,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2R,3R,5S)-5-hydroxy-1,2,3-triphenylpyrrolidine-2,5-dicarboxylate
PubChem CID102517818
Molecular FormulaC26H25NO5
Molecular Weight431.49 g/mol
Exact Mass431.17
IUPAC Namedimethyl (2R,3R,5S)-5-hydroxy-1,2,3-triphenylpyrrolidine-2,5-dicarboxylate
SMILESCOC(=O)[C@]1(c2ccccc2)[C@@H](c2ccccc2)C[C@](O)(C(=O)OC)N1c1ccccc1
InChIInChI=1S/C26H25NO5/c1-31-23(28)25(30)18-22(19-12-6-3-7-13-19)26(24(29)32-2,20-14-8-4-9-15-20)27(25)21-16-10-5-11-17-21/h3-17,22,30H,18H2,1-2H3/t22-,25+,26+/m1/s1
InChIKeyYWGYKIPESOXFJQ-RZFJZAQRSA-N
XLogP3.61
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze dimethyl (2R,3R,5S)-5-hydroxy-1,2,3-triphenylpyrrolidine-2,5-dicarboxylate 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

methyl (2R)-1-bromo-2-phenylcyclopropane-1-carboxylate
CID 102133366
trans-methyl (1S,2R)-2-phenyl-1-trimethylsilylcyclopropane-1-carboxylate
CID 44612781
trans-methyl (1S,2R)-2-phenyl-1-tri(propan-2-yl)silylcyclopropane-1-carboxylate
CID 102019751
methyl 3-hydroxy-2-oxo-1,4-diphenylazetidine-3-carboxylate
CID 102070722
cis-dimethyl (2R,3S)-2-deuterio-3-phenylcyclopropane-1,1-dicarboxylate
CID 24752248
methyl (2S,4S,5R)-5-(furan-2-carbonyl)-2-hydroxy-1,4-diphenylpyrrolidine-2-carboxylate
CID 57332306
dimethyl (2R,3R)-3-(3-bromophenyl)-1,2-diphenyl-3H-pyrrole-2,5-dicarboxylate
CID 102287969
trans-methyl (1R,2S)-1-(3-bromophenyl)-2-phenylcyclopropane-1-carboxylate
CID 139247056
methyl 2-(hydroxymethyl)-1-phenylcyclopropane-1-carboxylate
CID 58725238
cis-methyl (1S,2S)-2-hydroxy-4,6-dioxo-2-phenylcyclohexane-1-carboxylate
CID 165341801
dimethyl (2S,3R)-3-(4-methylphenyl)-1,2-diphenyl-3H-pyrrole-2,5-dicarboxylate
CID 102287964
cis-methyl (1S,2S)-2-phenyl-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxylate
CID 44557657

Frequently Asked Questions

What is the IUPAC name of dimethyl (2R,3R,5S)-5-hydroxy-1,2,3-triphenylpyrrolidine-2,5-dicarboxylate?
The IUPAC name of dimethyl (2R,3R,5S)-5-hydroxy-1,2,3-triphenylpyrrolidine-2,5-dicarboxylate (CID 102517818) is dimethyl (2R,3R,5S)-5-hydroxy-1,2,3-triphenylpyrrolidine-2,5-dicarboxylate.
What is the SMILES notation for dimethyl (2R,3R,5S)-5-hydroxy-1,2,3-triphenylpyrrolidine-2,5-dicarboxylate?
The canonical SMILES for dimethyl (2R,3R,5S)-5-hydroxy-1,2,3-triphenylpyrrolidine-2,5-dicarboxylate is COC(=O)[C@]1(c2ccccc2)[C@@H](c2ccccc2)C[C@](O)(C(=O)OC)N1c1ccccc1.
What is the InChIKey of dimethyl (2R,3R,5S)-5-hydroxy-1,2,3-triphenylpyrrolidine-2,5-dicarboxylate?
The InChIKey is YWGYKIPESOXFJQ-RZFJZAQRSA-N. The full InChI is InChI=1S/C26H25NO5/c1-31-23(28)25(30)18-22(19-12-6-3-7-13-19)26(24(29)32-2,20-14-8-4-9-15-20)27(25)21-16-10-5-11-17-21/h3-17,22,30H,18H2,1-2H3/t22-,25+,26+/m1/s1.
What are the key properties of dimethyl (2R,3R,5S)-5-hydroxy-1,2,3-triphenylpyrrolidine-2,5-dicarboxylate?
dimethyl (2R,3R,5S)-5-hydroxy-1,2,3-triphenylpyrrolidine-2,5-dicarboxylate has a molecular weight of 431.49 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R,3R,5S)-5-hydroxy-1,2,3-triphenylpyrrolidine-2,5-dicarboxylate is sourced from PubChem (CID 102517818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).