dimethyl 5,5-diphenylpyrrolidine-2,4-dicarboxylate

C20H21NO4 — CID 134612623

IUPACdimethyl 5,5-diphenylpyrrolidine-2,4-dicarboxylate
SMILESCOC(=O)C1CC(C(=O)OC)C(c2ccccc2)(c2ccccc2)N1
InChIInChI=1S/C20H21NO4/c1-24-18(22)16-13-17(19(23)25-2)21-20(16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16-17,21H,13H2,1-2H3
InChIKeyBYUYLJZMAXVNNV-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.25
Rot. Bonds4

About dimethyl 5,5-diphenylpyrrolidine-2,4-dicarboxylate

dimethyl 5,5-diphenylpyrrolidine-2,4-dicarboxylate (PubChem CID 134612623) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is dimethyl 5,5-diphenylpyrrolidine-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5,5-diphenylpyrrolidine-2,4-dicarboxylate
PubChem CID134612623
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Namedimethyl 5,5-diphenylpyrrolidine-2,4-dicarboxylate
SMILESCOC(=O)C1CC(C(=O)OC)C(c2ccccc2)(c2ccccc2)N1
InChIInChI=1S/C20H21NO4/c1-24-18(22)16-13-17(19(23)25-2)21-20(16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16-17,21H,13H2,1-2H3
InChIKeyBYUYLJZMAXVNNV-UHFFFAOYSA-N
XLogP2.25
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R,4R)-5,5-diphenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-yl]-2,2-dimethylpropan-1-one
CID 102440439
propan-2-yl (2R,3aR,9bR)-4-oxo-9b-phenyl-1,2,3,3a-tetrahydrochromeno[4,3-b]pyrrole-2-carboxylate
CID 134853626
trimethyl (3S,5S)-5-phenylpyrrolidine-2,2,3-tricarboxylate
CID 11674165
trans-methyl (1R,2R)-2-cyano-2-phenylcyclopropane-1-carboxylate
CID 15565151
trans-dimethyl (1R,2R)-3,3-diphenylcyclopropane-1,2-dicarboxylate
CID 882276
methyl 2-phenyl-2-pyrrol-1-ylcyclopropane-1-carboxylate
CID 134918881
methyl (2S,3R)-2-methyl-5-oxo-2-phenyloxolane-3-carboxylate
CID 102364670
methyl (2S,4S)-4-phenylpyrrolidine-2-carboxylate
CID 92978343
methyl (2S,4R)-4-phenylpyrrolidine-2-carboxylate
CID 14102971
methyl (4S)-2,2,5,5-tetraphenyl-1-aza-2λ5-phosphacyclopentene-4-carboxylate
CID 139162018
methyl 2,2-dicyano-3-phenylcyclobutane-1-carboxylate
CID 85085864
(2R,4R,5S)-4-methoxycarbonyl-5-phenylpyrrolidine-2-carboxylic acid
CID 54511745

Frequently Asked Questions

What is the IUPAC name of dimethyl 5,5-diphenylpyrrolidine-2,4-dicarboxylate?
The IUPAC name of dimethyl 5,5-diphenylpyrrolidine-2,4-dicarboxylate (CID 134612623) is dimethyl 5,5-diphenylpyrrolidine-2,4-dicarboxylate.
What is the SMILES notation for dimethyl 5,5-diphenylpyrrolidine-2,4-dicarboxylate?
The canonical SMILES for dimethyl 5,5-diphenylpyrrolidine-2,4-dicarboxylate is COC(=O)C1CC(C(=O)OC)C(c2ccccc2)(c2ccccc2)N1.
What is the InChIKey of dimethyl 5,5-diphenylpyrrolidine-2,4-dicarboxylate?
The InChIKey is BYUYLJZMAXVNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-24-18(22)16-13-17(19(23)25-2)21-20(16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16-17,21H,13H2,1-2H3.
What are the key properties of dimethyl 5,5-diphenylpyrrolidine-2,4-dicarboxylate?
dimethyl 5,5-diphenylpyrrolidine-2,4-dicarboxylate has a molecular weight of 339.39 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5,5-diphenylpyrrolidine-2,4-dicarboxylate is sourced from PubChem (CID 134612623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).