ethyl 2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate

C16H23NO3 — CID 83980965

IUPACethyl 2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate
SMILESCCOC(=O)CC1CCN(Cc2cccc(OC)c2)C1
InChIInChI=1S/C16H23NO3/c1-3-20-16(18)10-14-7-8-17(12-14)11-13-5-4-6-15(9-13)19-2/h4-6,9,14H,3,7-8,10-12H2,1-2H3
InChIKeyYBWHBNRCGIBZPL-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.47
Rot. Bonds6

About ethyl 2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate

ethyl 2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate (PubChem CID 83980965) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is ethyl 2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate
PubChem CID83980965
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nameethyl 2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate
SMILESCCOC(=O)CC1CCN(Cc2cccc(OC)c2)C1
InChIInChI=1S/C16H23NO3/c1-3-20-16(18)10-14-7-8-17(12-14)11-13-5-4-6-15(9-13)19-2/h4-6,9,14H,3,7-8,10-12H2,1-2H3
InChIKeyYBWHBNRCGIBZPL-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980866
3-[[4-(2-ethoxy-2-oxoethyl)piperidin-1-yl]methyl]benzoic acid
CID 122028667
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 24904638
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 63365148
3-(2-bromoethyl)-1-[(3-methoxyphenyl)methyl]pyrrolidine
CID 114800301
2-amino-2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]acetic acid
CID 83980971
1-[(3-methoxyphenyl)methyl]piperidine-3,4-dicarboxylic acid
CID 115918664
methyl 2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980671
1-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]butan-1-amine
CID 83980975
tert-butyl N-[[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]carbamate
CID 83980997
3-(bromomethyl)-1-[(3-methoxyphenyl)methyl]piperidine
CID 80679418
4-chloro-1-[(3-methoxyphenyl)methyl]piperidine
CID 63389704

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate?
The IUPAC name of ethyl 2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate (CID 83980965) is ethyl 2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate?
The canonical SMILES for ethyl 2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate is CCOC(=O)CC1CCN(Cc2cccc(OC)c2)C1.
What is the InChIKey of ethyl 2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate?
The InChIKey is YBWHBNRCGIBZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-20-16(18)10-14-7-8-17(12-14)11-13-5-4-6-15(9-13)19-2/h4-6,9,14H,3,7-8,10-12H2,1-2H3.
What are the key properties of ethyl 2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate?
ethyl 2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate has a molecular weight of 277.36 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate is sourced from PubChem (CID 83980965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).