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

C15H21NO3 — CID 51075197

IUPACethyl 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetate
SMILESCCOC(=O)CN1CCCC1c1cccc(OC)c1
InChIInChI=1S/C15H21NO3/c1-3-19-15(17)11-16-9-5-8-14(16)12-6-4-7-13(10-12)18-2/h4,6-7,10,14H,3,5,8-9,11H2,1-2H3
InChIKeyDNCIKPYBFBLJLP-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.40
Rot. Bonds5

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

ethyl 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetate (PubChem CID 51075197) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetate
PubChem CID51075197
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nameethyl 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetate
SMILESCCOC(=O)CN1CCCC1c1cccc(OC)c1
InChIInChI=1S/C15H21NO3/c1-3-19-15(17)11-16-9-5-8-14(16)12-6-4-7-13(10-12)18-2/h4,6-7,10,14H,3,5,8-9,11H2,1-2H3
InChIKeyDNCIKPYBFBLJLP-UHFFFAOYSA-N
XLogP2.40
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S)-1-[2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetyl]piperidine-2-carboxylate
CID 124822735
ethyl (2R)-1-[2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetyl]piperidine-2-carboxylate
CID 124822736
2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 86916010
(2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine
CID 95154091
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 100849850
1-(cyclopropylmethyl)-2-(3-methoxyphenyl)pyrrolidine
CID 23361278
3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propanoic acid
CID 124688481
N-(ethylcarbamoyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 41415749
methyl 1-[2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate
CID 51470159
3-[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]propanoic acid
CID 95716440
N-(4-bromophenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 55498802
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetate?
The IUPAC name of ethyl 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetate (CID 51075197) is ethyl 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetate is CCOC(=O)CN1CCCC1c1cccc(OC)c1.
What is the InChIKey of ethyl 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetate?
The InChIKey is DNCIKPYBFBLJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-19-15(17)11-16-9-5-8-14(16)12-6-4-7-13(10-12)18-2/h4,6-7,10,14H,3,5,8-9,11H2,1-2H3.
What are the key properties of ethyl 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetate?
ethyl 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetate has a molecular weight of 263.34 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetate is sourced from PubChem (CID 51075197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).