dimethyl 2,3-dimethyl-5-phenylpyrrolidine-2,4-dicarboxylate

C16H21NO4 — CID 14062338

IUPACdimethyl 2,3-dimethyl-5-phenylpyrrolidine-2,4-dicarboxylate
SMILESCOC(=O)C1C(c2ccccc2)NC(C)(C(=O)OC)C1C
InChIInChI=1S/C16H21NO4/c1-10-12(14(18)20-3)13(11-8-6-5-7-9-11)17-16(10,2)15(19)21-4/h5-10,12-13,17H,1-4H3
InChIKeyVGCDTWPHOLNORH-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.69
Rot. Bonds3

About dimethyl 2,3-dimethyl-5-phenylpyrrolidine-2,4-dicarboxylate

dimethyl 2,3-dimethyl-5-phenylpyrrolidine-2,4-dicarboxylate (PubChem CID 14062338) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is dimethyl 2,3-dimethyl-5-phenylpyrrolidine-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2,3-dimethyl-5-phenylpyrrolidine-2,4-dicarboxylate
PubChem CID14062338
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Namedimethyl 2,3-dimethyl-5-phenylpyrrolidine-2,4-dicarboxylate
SMILESCOC(=O)C1C(c2ccccc2)NC(C)(C(=O)OC)C1C
InChIInChI=1S/C16H21NO4/c1-10-12(14(18)20-3)13(11-8-6-5-7-9-11)17-16(10,2)15(19)21-4/h5-10,12-13,17H,1-4H3
InChIKeyVGCDTWPHOLNORH-UHFFFAOYSA-N
XLogP1.69
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl (2R,3R,4R,5S)-2-ethyl-3-methyl-5-phenylpyrrolidine-2,4-dicarboxylate
CID 135007567
3-O,4-O-dimethyl 2-O-propan-2-yl (2R,3R,4R,5S)-2-methyl-5-phenylpyrrolidine-2,3,4-tricarboxylate
CID 10642456
dimethyl (2S,3S,4R,5S)-2,5-diphenylpyrrolidine-3,4-dicarboxylate
CID 101203348
dimethyl (2S,3R,4S,5R)-2-(4-hydroxyphenyl)-5-phenylpyrrolidine-3,4-dicarboxylate
CID 101222066
methyl (2'R,3S,3'S,4'S)-5-methoxy-1,4'-dimethyl-2-oxo-2'-phenylspiro[indole-3,5'-pyrrolidine]-3'-carboxylate
CID 138967187
methyl (1S,2R,3R)-2-methyl-1,3-diphenylcyclopropane-1-carboxylate
CID 102081874
methyl (4R,5S,6R)-2,2,4-trimethyl-6-phenyl-1,3-dioxane-5-carboxylate
CID 11265546
methyl (2S,3S,4S,5S)-3-(4-ethoxyphenyl)-2-methyl-4-nitro-5-phenylpyrrolidine-2-carboxylate
CID 169096890
methyl (2S,4S,5R)-4-(hydroxymethyl)-2-methyl-5-phenylpyrrolidine-2-carboxylate
CID 97109270
3-O-tert-butyl 6a-O-methyl (2S,3S,3aS,6aS)-2-phenyl-2,3,3a,4,5,6-hexahydro-1H-cyclopenta[b]pyrrole-3,6a-dicarboxylate
CID 132597008
cis-(2S,4R)-3-methoxycarbonyl-2,4-diphenylcyclobutane-1-carboxylic acid
CID 686165
methyl (4R,5R,6S)-1-cyclopropyl-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate
CID 51680443

Frequently Asked Questions

What is the IUPAC name of dimethyl 2,3-dimethyl-5-phenylpyrrolidine-2,4-dicarboxylate?
The IUPAC name of dimethyl 2,3-dimethyl-5-phenylpyrrolidine-2,4-dicarboxylate (CID 14062338) is dimethyl 2,3-dimethyl-5-phenylpyrrolidine-2,4-dicarboxylate.
What is the SMILES notation for dimethyl 2,3-dimethyl-5-phenylpyrrolidine-2,4-dicarboxylate?
The canonical SMILES for dimethyl 2,3-dimethyl-5-phenylpyrrolidine-2,4-dicarboxylate is COC(=O)C1C(c2ccccc2)NC(C)(C(=O)OC)C1C.
What is the InChIKey of dimethyl 2,3-dimethyl-5-phenylpyrrolidine-2,4-dicarboxylate?
The InChIKey is VGCDTWPHOLNORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-10-12(14(18)20-3)13(11-8-6-5-7-9-11)17-16(10,2)15(19)21-4/h5-10,12-13,17H,1-4H3.
What are the key properties of dimethyl 2,3-dimethyl-5-phenylpyrrolidine-2,4-dicarboxylate?
dimethyl 2,3-dimethyl-5-phenylpyrrolidine-2,4-dicarboxylate has a molecular weight of 291.35 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,3-dimethyl-5-phenylpyrrolidine-2,4-dicarboxylate is sourced from PubChem (CID 14062338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).