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

C15H19NO4 — CID 14040009

IUPACdimethyl 2-methyl-5-phenylpyrrolidine-2,4-dicarboxylate
SMILESCOC(=O)C1CC(C)(C(=O)OC)NC1c1ccccc1
InChIInChI=1S/C15H19NO4/c1-15(14(18)20-3)9-11(13(17)19-2)12(16-15)10-7-5-4-6-8-10/h4-8,11-12,16H,9H2,1-3H3
InChIKeyVWJGICGANFKOEY-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.44
Rot. Bonds3

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

dimethyl 2-methyl-5-phenylpyrrolidine-2,4-dicarboxylate (PubChem CID 14040009) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is dimethyl 2-methyl-5-phenylpyrrolidine-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-methyl-5-phenylpyrrolidine-2,4-dicarboxylate
PubChem CID14040009
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namedimethyl 2-methyl-5-phenylpyrrolidine-2,4-dicarboxylate
SMILESCOC(=O)C1CC(C)(C(=O)OC)NC1c1ccccc1
InChIInChI=1S/C15H19NO4/c1-15(14(18)20-3)9-11(13(17)19-2)12(16-15)10-7-5-4-6-8-10/h4-8,11-12,16H,9H2,1-3H3
InChIKeyVWJGICGANFKOEY-UHFFFAOYSA-N
XLogP1.44
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl (2S,5R)-5-phenylpyrrolidine-2-carboxylate hydrochloride
CID 66813568
methyl (2S,4R,5R)-4-cyano-5-phenylpyrrolidine-2-carboxylate
CID 14062335
methyl (2S,4S,5R)-4-cyano-5-phenylpyrrolidine-2-carboxylate
CID 16413891
methyl (2S,4S,5R)-4-cyano-5-(2-fluorophenyl)pyrrolidine-2-carboxylate
CID 40819335
methyl (2S,4R,5R)-4-cyano-5-(2-fluorophenyl)pyrrolidine-2-carboxylate
CID 40819339
(2R,5R)-2-[(1S,2R)-2-amino-2-carboxy-1-hydroxyethyl]-5-phenylpyrrolidine-2-carboxylic acid
CID 44570346
(2R,5R)-2-[(1S,2R)-2-amino-2-carboxy-1-hydroxyethyl]-5-(3-methylphenyl)pyrrolidine-2-carboxylic acid
CID 44570349
(2R,5R)-2-[(1S,2R)-2-amino-2-carboxy-1-hydroxyethyl]-5-(4-methylphenyl)pyrrolidine-2-carboxylic acid
CID 44570351
methyl (2S,4S,5R)-4-cyano-2-methyl-5-(2-methylphenyl)pyrrolidine-2-carboxylate
CID 44572223
methyl (2S,4R,5R)-4-cyano-5-(3-fluorophenyl)pyrrolidine-2-carboxylate
CID 44572224
methyl (2S,4R,5R)-4-cyano-2-methyl-5-(2-methylphenyl)pyrrolidine-2-carboxylate
CID 44572273
methyl (2S,4S,5R)-4-cyano-5-(3-fluorophenyl)pyrrolidine-2-carboxylate
CID 44573189

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-methyl-5-phenylpyrrolidine-2,4-dicarboxylate?
The IUPAC name of dimethyl 2-methyl-5-phenylpyrrolidine-2,4-dicarboxylate (CID 14040009) is dimethyl 2-methyl-5-phenylpyrrolidine-2,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-methyl-5-phenylpyrrolidine-2,4-dicarboxylate?
The canonical SMILES for dimethyl 2-methyl-5-phenylpyrrolidine-2,4-dicarboxylate is COC(=O)C1CC(C)(C(=O)OC)NC1c1ccccc1.
What is the InChIKey of dimethyl 2-methyl-5-phenylpyrrolidine-2,4-dicarboxylate?
The InChIKey is VWJGICGANFKOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-15(14(18)20-3)9-11(13(17)19-2)12(16-15)10-7-5-4-6-8-10/h4-8,11-12,16H,9H2,1-3H3.
What are the key properties of dimethyl 2-methyl-5-phenylpyrrolidine-2,4-dicarboxylate?
dimethyl 2-methyl-5-phenylpyrrolidine-2,4-dicarboxylate has a molecular weight of 277.32 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-methyl-5-phenylpyrrolidine-2,4-dicarboxylate is sourced from PubChem (CID 14040009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).