methyl 4-(2,4-dimethoxyphenyl)-4-methylpyrrolidine-3-carboxylate

C15H21NO4 — CID 114486449

IUPACmethyl 4-(2,4-dimethoxyphenyl)-4-methylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1CNCC1(C)c1ccc(OC)cc1OC
InChIInChI=1S/C15H21NO4/c1-15(9-16-8-12(15)14(17)20-4)11-6-5-10(18-2)7-13(11)19-3/h5-7,12,16H,8-9H2,1-4H3
InChIKeyGVIDROLVDPILPT-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.35
Rot. Bonds4

About methyl 4-(2,4-dimethoxyphenyl)-4-methylpyrrolidine-3-carboxylate

methyl 4-(2,4-dimethoxyphenyl)-4-methylpyrrolidine-3-carboxylate (PubChem CID 114486449) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 4-(2,4-dimethoxyphenyl)-4-methylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2,4-dimethoxyphenyl)-4-methylpyrrolidine-3-carboxylate
PubChem CID114486449
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namemethyl 4-(2,4-dimethoxyphenyl)-4-methylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1CNCC1(C)c1ccc(OC)cc1OC
InChIInChI=1S/C15H21NO4/c1-15(9-16-8-12(15)14(17)20-4)11-6-5-10(18-2)7-13(11)19-3/h5-7,12,16H,8-9H2,1-4H3
InChIKeyGVIDROLVDPILPT-UHFFFAOYSA-N
XLogP1.35
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,4-dimethoxyphenyl)-4-methylpyrrolidine-3-carboxylate?
The IUPAC name of methyl 4-(2,4-dimethoxyphenyl)-4-methylpyrrolidine-3-carboxylate (CID 114486449) is methyl 4-(2,4-dimethoxyphenyl)-4-methylpyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 4-(2,4-dimethoxyphenyl)-4-methylpyrrolidine-3-carboxylate?
The canonical SMILES for methyl 4-(2,4-dimethoxyphenyl)-4-methylpyrrolidine-3-carboxylate is COC(=O)C1CNCC1(C)c1ccc(OC)cc1OC.
What is the InChIKey of methyl 4-(2,4-dimethoxyphenyl)-4-methylpyrrolidine-3-carboxylate?
The InChIKey is GVIDROLVDPILPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-15(9-16-8-12(15)14(17)20-4)11-6-5-10(18-2)7-13(11)19-3/h5-7,12,16H,8-9H2,1-4H3.
What are the key properties of methyl 4-(2,4-dimethoxyphenyl)-4-methylpyrrolidine-3-carboxylate?
methyl 4-(2,4-dimethoxyphenyl)-4-methylpyrrolidine-3-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,4-dimethoxyphenyl)-4-methylpyrrolidine-3-carboxylate is sourced from PubChem (CID 114486449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).