dimethyl (2R,4S,5R)-1,5-diphenylpyrrolidine-2,4-dicarboxylate

C20H21NO4 — CID 11279204

IUPACdimethyl (2R,4S,5R)-1,5-diphenylpyrrolidine-2,4-dicarboxylate
SMILESCOC(=O)[C@H]1C[C@H](C(=O)OC)N(c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C20H21NO4/c1-24-19(22)16-13-17(20(23)25-2)21(15-11-7-4-8-12-15)18(16)14-9-5-3-6-10-14/h3-12,16-18H,13H2,1-2H3/t16-,17+,18-/m0/s1
InChIKeyLSDUDZIWWUZLQE-KSZLIROESA-N
MW339.39 g/mol
LogP2.97
Rot. Bonds4

About dimethyl (2R,4S,5R)-1,5-diphenylpyrrolidine-2,4-dicarboxylate

dimethyl (2R,4S,5R)-1,5-diphenylpyrrolidine-2,4-dicarboxylate (PubChem CID 11279204) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is dimethyl (2R,4S,5R)-1,5-diphenylpyrrolidine-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2R,4S,5R)-1,5-diphenylpyrrolidine-2,4-dicarboxylate
PubChem CID11279204
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Namedimethyl (2R,4S,5R)-1,5-diphenylpyrrolidine-2,4-dicarboxylate
SMILESCOC(=O)[C@H]1C[C@H](C(=O)OC)N(c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C20H21NO4/c1-24-19(22)16-13-17(20(23)25-2)21(15-11-7-4-8-12-15)18(16)14-9-5-3-6-10-14/h3-12,16-18H,13H2,1-2H3/t16-,17+,18-/m0/s1
InChIKeyLSDUDZIWWUZLQE-KSZLIROESA-N
XLogP2.97
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze dimethyl (2R,4S,5R)-1,5-diphenylpyrrolidine-2,4-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

(2S)-1-[(2R)-4-carboxy-2-methyl-6-phenylhexanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 44317123
1-(4-Carboxy-2-methyl-6-phenyl-hexanoyl)-2,3-dihydro-1H-indole-2-carboxylic acid
CID 44459120
1-(4-Ethoxycarbonyl-6-phenyl-hexanoyl)-2,3-dihydro-1H-indole-2-carboxylic acid
CID 44459111
1-(4-Ethoxycarbonyl-2-methyl-6-phenyl-hexanoyl)-2,3-dihydro-1H-indole-2-carboxylic acid
CID 44459119
dimethyl (2R,3S,3aS,4S,7R,7aR)-7-iodo-1,2-diphenyl-2,3,3a,4,5,6,7,7a-octahydroindole-3,4-dicarboxylate
CID 71449417
dimethyl (2R,3S,3aS,4S,7R,7aR)-7-iodo-1-(4-methylphenyl)-2-phenyl-2,3,3a,4,5,6,7,7a-octahydroindole-3,4-dicarboxylate
CID 71458397
ethyl (1R,2S,3aS,9bS)-3-acetyl-5-(2-methoxyethyl)-4-oxo-2-phenyl-1,2,3a,9b-tetrahydropyrrolo[2,3-c]quinoline-1-carboxylate
CID 134786533
2-O-ethyl 4-O-methyl 1-methyl-5-phenylpyrrolidine-2,4-dicarboxylate
CID 13659506
2-(2-ethoxycarbonyl-3-ethyl-5-fluoro-1-methyl-2H-indol-3-yl)acetic acid
CID 18780517
2-[1-[2-(dimethylamino)ethenyl]-5-fluoro-2-methoxycarbonyl-3-methyl-2H-indol-3-yl]acetic acid
CID 70083639
Methyl 2-(2-fluorophenyl)-5-[methyl(phenyl)carbamoyl]pyrrolidine-3-carboxylate
CID 140385881
1-O-tert-butyl 3-O-methyl 2-(2-fluorophenyl)-5-[methyl(phenyl)carbamoyl]pyrrolidine-1,3-dicarboxylate
CID 140385903

Frequently Asked Questions

What is the IUPAC name of dimethyl (2R,4S,5R)-1,5-diphenylpyrrolidine-2,4-dicarboxylate?
The IUPAC name of dimethyl (2R,4S,5R)-1,5-diphenylpyrrolidine-2,4-dicarboxylate (CID 11279204) is dimethyl (2R,4S,5R)-1,5-diphenylpyrrolidine-2,4-dicarboxylate.
What is the SMILES notation for dimethyl (2R,4S,5R)-1,5-diphenylpyrrolidine-2,4-dicarboxylate?
The canonical SMILES for dimethyl (2R,4S,5R)-1,5-diphenylpyrrolidine-2,4-dicarboxylate is COC(=O)[C@H]1C[C@H](C(=O)OC)N(c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of dimethyl (2R,4S,5R)-1,5-diphenylpyrrolidine-2,4-dicarboxylate?
The InChIKey is LSDUDZIWWUZLQE-KSZLIROESA-N. The full InChI is InChI=1S/C20H21NO4/c1-24-19(22)16-13-17(20(23)25-2)21(15-11-7-4-8-12-15)18(16)14-9-5-3-6-10-14/h3-12,16-18H,13H2,1-2H3/t16-,17+,18-/m0/s1.
What are the key properties of dimethyl (2R,4S,5R)-1,5-diphenylpyrrolidine-2,4-dicarboxylate?
dimethyl (2R,4S,5R)-1,5-diphenylpyrrolidine-2,4-dicarboxylate has a molecular weight of 339.39 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R,4S,5R)-1,5-diphenylpyrrolidine-2,4-dicarboxylate is sourced from PubChem (CID 11279204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).