ethyl 4-(2-methoxyphenyl)-1-methylpyrrolidine-3-carboxylate

C15H21NO3 — CID 134162395

IUPACethyl 4-(2-methoxyphenyl)-1-methylpyrrolidine-3-carboxylate
SMILESCCOC(=O)C1CN(C)CC1c1ccccc1OC
InChIInChI=1S/C15H21NO3/c1-4-19-15(17)13-10-16(2)9-12(13)11-7-5-6-8-14(11)18-3/h5-8,12-13H,4,9-10H2,1-3H3
InChIKeyZWRKWEHFEZZEAH-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.90
Rot. Bonds4

About ethyl 4-(2-methoxyphenyl)-1-methylpyrrolidine-3-carboxylate

ethyl 4-(2-methoxyphenyl)-1-methylpyrrolidine-3-carboxylate (PubChem CID 134162395) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 4-(2-methoxyphenyl)-1-methylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-methoxyphenyl)-1-methylpyrrolidine-3-carboxylate
PubChem CID134162395
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nameethyl 4-(2-methoxyphenyl)-1-methylpyrrolidine-3-carboxylate
SMILESCCOC(=O)C1CN(C)CC1c1ccccc1OC
InChIInChI=1S/C15H21NO3/c1-4-19-15(17)13-10-16(2)9-12(13)11-7-5-6-8-14(11)18-3/h5-8,12-13H,4,9-10H2,1-3H3
InChIKeyZWRKWEHFEZZEAH-UHFFFAOYSA-N
XLogP1.90
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methoxyphenyl)-1-methylpyrrolidin-3-amine
CID 82395877
ethyl 4-(2,6-difluorophenyl)-1-methylpyrrolidine-3-carboxylate
CID 134162418
ethyl 4-benzoyl-1-methylpyrrolidine-3-carboxylate
CID 3738299
ethyl (3R,4S)-4-(2-methoxyphenyl)-2,6-dioxopiperidine-3-carboxylate
CID 70454520
(3S,4R)-1-(2-methoxyethyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 70736731
ethyl (2S,5R)-1-(2-aminoacetyl)-5-(2-methoxyphenyl)pyrrolidine-2-carboxylate
CID 10566577
ethyl 6-(2-methoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 2864928
ethyl 4,6-bis(2-methoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate
CID 91653457
ethyl 4-(4-bromo-3-fluorophenyl)-1-methylpyrrolidine-3-carboxylate
CID 59454260
ethyl 4-(4-fluorophenyl)-1-methylpiperidine-3-carboxylate
CID 10978362
ethyl 1-amino-2-(2-methoxyphenyl)cyclopropane-1-carboxylate
CID 82363625
1-benzyl-4-(2-methoxyphenyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 53422379

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-methoxyphenyl)-1-methylpyrrolidine-3-carboxylate?
The IUPAC name of ethyl 4-(2-methoxyphenyl)-1-methylpyrrolidine-3-carboxylate (CID 134162395) is ethyl 4-(2-methoxyphenyl)-1-methylpyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl 4-(2-methoxyphenyl)-1-methylpyrrolidine-3-carboxylate?
The canonical SMILES for ethyl 4-(2-methoxyphenyl)-1-methylpyrrolidine-3-carboxylate is CCOC(=O)C1CN(C)CC1c1ccccc1OC.
What is the InChIKey of ethyl 4-(2-methoxyphenyl)-1-methylpyrrolidine-3-carboxylate?
The InChIKey is ZWRKWEHFEZZEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-19-15(17)13-10-16(2)9-12(13)11-7-5-6-8-14(11)18-3/h5-8,12-13H,4,9-10H2,1-3H3.
What are the key properties of ethyl 4-(2-methoxyphenyl)-1-methylpyrrolidine-3-carboxylate?
ethyl 4-(2-methoxyphenyl)-1-methylpyrrolidine-3-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-methoxyphenyl)-1-methylpyrrolidine-3-carboxylate is sourced from PubChem (CID 134162395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).