ethyl 3-(2-methoxyphenyl)-3-pyrrolidin-1-ylpropanoate

C16H23NO3 — CID 64527619

IUPACethyl 3-(2-methoxyphenyl)-3-pyrrolidin-1-ylpropanoate
SMILESCCOC(=O)CC(c1ccccc1OC)N1CCCC1
InChIInChI=1S/C16H23NO3/c1-3-20-16(18)12-14(17-10-6-7-11-17)13-8-4-5-9-15(13)19-2/h4-5,8-9,14H,3,6-7,10-12H2,1-2H3
InChIKeyMDUZCASATSERFG-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.79
Rot. Bonds6

About ethyl 3-(2-methoxyphenyl)-3-pyrrolidin-1-ylpropanoate

ethyl 3-(2-methoxyphenyl)-3-pyrrolidin-1-ylpropanoate (PubChem CID 64527619) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is ethyl 3-(2-methoxyphenyl)-3-pyrrolidin-1-ylpropanoate.

Molecular Properties

Compound Nameethyl 3-(2-methoxyphenyl)-3-pyrrolidin-1-ylpropanoate
PubChem CID64527619
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nameethyl 3-(2-methoxyphenyl)-3-pyrrolidin-1-ylpropanoate
SMILESCCOC(=O)CC(c1ccccc1OC)N1CCCC1
InChIInChI=1S/C16H23NO3/c1-3-20-16(18)12-14(17-10-6-7-11-17)13-8-4-5-9-15(13)19-2/h4-5,8-9,14H,3,6-7,10-12H2,1-2H3
InChIKeyMDUZCASATSERFG-UHFFFAOYSA-N
XLogP2.79
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(2-methoxyphenyl)-3-piperidin-1-ylpropanoate
CID 64542045
ethyl 3-(2-methoxyphenyl)-3-morpholin-4-ylpropanoate
CID 64528220
ethyl 3-(2-fluorophenyl)-3-pyrrolidin-1-ylpropanoate
CID 64539874
ethyl 3-(5-bromo-2-methoxyphenyl)-3-pyrrolidin-1-ylpropanoate
CID 64528994
ethyl 3-(2-bromophenyl)-3-piperidin-1-ylpropanoate
CID 64539908
3-(2-ethoxyphenyl)-3-pyrrolidin-1-ylpropanoic acid
CID 64527940
ethyl 4-[N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N'-methylcarbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111164208
ethyl (3S)-3-amino-3-(2-methoxyphenyl)propanoate;hydrochloride
CID 171220006
1-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119849343
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclobutanecarboxamide
CID 30522180
2-amino-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-methylphenyl)acetamide
CID 120669331
ethyl 1-[N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N'-methylcarbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110994312

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-methoxyphenyl)-3-pyrrolidin-1-ylpropanoate?
The IUPAC name of ethyl 3-(2-methoxyphenyl)-3-pyrrolidin-1-ylpropanoate (CID 64527619) is ethyl 3-(2-methoxyphenyl)-3-pyrrolidin-1-ylpropanoate.
What is the SMILES notation for ethyl 3-(2-methoxyphenyl)-3-pyrrolidin-1-ylpropanoate?
The canonical SMILES for ethyl 3-(2-methoxyphenyl)-3-pyrrolidin-1-ylpropanoate is CCOC(=O)CC(c1ccccc1OC)N1CCCC1.
What is the InChIKey of ethyl 3-(2-methoxyphenyl)-3-pyrrolidin-1-ylpropanoate?
The InChIKey is MDUZCASATSERFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-20-16(18)12-14(17-10-6-7-11-17)13-8-4-5-9-15(13)19-2/h4-5,8-9,14H,3,6-7,10-12H2,1-2H3.
What are the key properties of ethyl 3-(2-methoxyphenyl)-3-pyrrolidin-1-ylpropanoate?
ethyl 3-(2-methoxyphenyl)-3-pyrrolidin-1-ylpropanoate has a molecular weight of 277.36 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-methoxyphenyl)-3-pyrrolidin-1-ylpropanoate is sourced from PubChem (CID 64527619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).