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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Related Compounds

4-(3-methoxyphenyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63939230
methyl 7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylate
CID 122463537
7-(2,4-dimethoxyphenyl)bicyclo[4.1.0]heptan-7-ol
CID 79331273
N-(2,4-dimethoxyphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63141186
methyl (3R,4R)-4-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxylate
CID 96885862
N-(2,4-dimethoxyphenyl)-1-methylcyclopentane-1-carboxamide
CID 95905786
N-(5-methoxy-3,3-dimethyl-1,2-dihydroinden-2-yl)acetamide
CID 70556870
4-(2,5-dimethoxyphenyl)piperidine-4-carboxylic acid
CID 82091719
[(3aS,6aR)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 142469619
2,2-dicyclohexyl-2-[5,6-dichloro-2-(2,4-dimethoxyphenyl)-1,3-dihydrobenzimidazol-2-yl]acetamide
CID 68890872
methyl (2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylate
CID 10703555
6-[(2,4-dimethoxyphenyl)methyl]-6-methyl-1,4-diazepane
CID 82486393

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).