3-ethyl-1-[2-(4-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid

C15H20FNO3 — CID 63148518

IUPAC3-ethyl-1-[2-(4-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(CCOc2ccc(F)cc2)C1
InChIInChI=1S/C15H20FNO3/c1-2-15(14(18)19)7-8-17(11-15)9-10-20-13-5-3-12(16)4-6-13/h3-6H,2,7-11H2,1H3,(H,18,19)
InChIKeyTUVJIWNLDSFZJU-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.39
Rot. Bonds6

About 3-ethyl-1-[2-(4-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid

3-ethyl-1-[2-(4-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid (PubChem CID 63148518) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 3-ethyl-1-[2-(4-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-[2-(4-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid
PubChem CID63148518
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name3-ethyl-1-[2-(4-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(CCOc2ccc(F)cc2)C1
InChIInChI=1S/C15H20FNO3/c1-2-15(14(18)19)7-8-17(11-15)9-10-20-13-5-3-12(16)4-6-13/h3-6H,2,7-11H2,1H3,(H,18,19)
InChIKeyTUVJIWNLDSFZJU-UHFFFAOYSA-N
XLogP2.39
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-bromophenoxy)ethyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63152611
3-ethyl-1-(3-phenoxypropyl)piperidine-3-carboxylic acid
CID 63137224
1-(2-ethoxyethyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63148735
1-[2-(2-fluorophenoxy)ethyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63152563
1-[2-(3-chlorophenoxy)ethyl]-3-ethylpiperidine-3-carboxylic acid
CID 63137041
3-amino-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine-3-carboxylic acid
CID 107324984
1-[2-(2-chlorophenoxy)ethyl]-3-ethylpiperidine-3-carboxylic acid
CID 63136958
1-[2-(3-chlorophenoxy)ethyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126737
1-[2-(2-methylphenoxy)ethyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63148363
2-[1-[2-(4-fluorophenoxy)ethyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659234
1-ethyl-4-[2-(4-fluorophenoxy)ethyl]piperazine
CID 1301156
4-(aminomethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidin-4-ol
CID 95472427

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-(4-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-[2-(4-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid (CID 63148518) is 3-ethyl-1-[2-(4-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-[2-(4-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-[2-(4-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(CCOc2ccc(F)cc2)C1.
What is the InChIKey of 3-ethyl-1-[2-(4-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is TUVJIWNLDSFZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-2-15(14(18)19)7-8-17(11-15)9-10-20-13-5-3-12(16)4-6-13/h3-6H,2,7-11H2,1H3,(H,18,19).
What are the key properties of 3-ethyl-1-[2-(4-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid?
3-ethyl-1-[2-(4-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 281.33 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[2-(4-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63148518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).