3-(2-ethoxyphenyl)-3-pyrrolidin-1-ylpropanoic acid

C15H21NO3 — CID 64527940

IUPAC3-(2-ethoxyphenyl)-3-pyrrolidin-1-ylpropanoic acid
SMILESCCOc1ccccc1C(CC(=O)O)N1CCCC1
InChIInChI=1S/C15H21NO3/c1-2-19-14-8-4-3-7-12(14)13(11-15(17)18)16-9-5-6-10-16/h3-4,7-8,13H,2,5-6,9-11H2,1H3,(H,17,18)
InChIKeyKWZFIZIRAXDBKL-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.70
Rot. Bonds6

About 3-(2-ethoxyphenyl)-3-pyrrolidin-1-ylpropanoic acid

3-(2-ethoxyphenyl)-3-pyrrolidin-1-ylpropanoic acid (PubChem CID 64527940) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-3-pyrrolidin-1-ylpropanoic acid.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-3-pyrrolidin-1-ylpropanoic acid
PubChem CID64527940
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-(2-ethoxyphenyl)-3-pyrrolidin-1-ylpropanoic acid
SMILESCCOc1ccccc1C(CC(=O)O)N1CCCC1
InChIInChI=1S/C15H21NO3/c1-2-19-14-8-4-3-7-12(14)13(11-15(17)18)16-9-5-6-10-16/h3-4,7-8,13H,2,5-6,9-11H2,1H3,(H,17,18)
InChIKeyKWZFIZIRAXDBKL-UHFFFAOYSA-N
XLogP2.70
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethylphenyl)-3-piperidin-1-ylpropanoic acid
CID 64526440
ethyl 3-(2-methoxyphenyl)-3-pyrrolidin-1-ylpropanoate
CID 64527619
ethyl 3-(2-methoxyphenyl)-3-piperidin-1-ylpropanoate
CID 64542045
(2R)-2-(2-ethoxyphenyl)-2-piperidin-1-ylethanamine
CID 93489676
3-(2-chlorophenyl)-3-piperidin-1-ylpropanoic acid
CID 64527224
2-(2-ethoxyphenyl)butanedioic acid
CID 112508431
2-ethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 45155494
ethyl 3-(2-fluorophenyl)-3-pyrrolidin-1-ylpropanoate
CID 64539874
ethyl 3-(2-bromophenyl)-3-piperidin-1-ylpropanoate
CID 64539908
4-amino-3-(2-ethoxyphenyl)pentanoic acid
CID 66098544
N-[(1R)-1-(2-ethoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]acetamide
CID 95282390
1-[(1R)-1-(2-ethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171288177

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-3-pyrrolidin-1-ylpropanoic acid?
The IUPAC name of 3-(2-ethoxyphenyl)-3-pyrrolidin-1-ylpropanoic acid (CID 64527940) is 3-(2-ethoxyphenyl)-3-pyrrolidin-1-ylpropanoic acid.
What is the SMILES notation for 3-(2-ethoxyphenyl)-3-pyrrolidin-1-ylpropanoic acid?
The canonical SMILES for 3-(2-ethoxyphenyl)-3-pyrrolidin-1-ylpropanoic acid is CCOc1ccccc1C(CC(=O)O)N1CCCC1.
What is the InChIKey of 3-(2-ethoxyphenyl)-3-pyrrolidin-1-ylpropanoic acid?
The InChIKey is KWZFIZIRAXDBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-19-14-8-4-3-7-12(14)13(11-15(17)18)16-9-5-6-10-16/h3-4,7-8,13H,2,5-6,9-11H2,1H3,(H,17,18).
What are the key properties of 3-(2-ethoxyphenyl)-3-pyrrolidin-1-ylpropanoic acid?
3-(2-ethoxyphenyl)-3-pyrrolidin-1-ylpropanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-3-pyrrolidin-1-ylpropanoic acid is sourced from PubChem (CID 64527940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).