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

C15H20FNO2 — CID 65064332

IUPAC3-ethyl-1-[1-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(C)c2ccc(F)cc2)C1
InChIInChI=1S/C15H20FNO2/c1-3-15(14(18)19)8-9-17(10-15)11(2)12-4-6-13(16)7-5-12/h4-7,11H,3,8-10H2,1-2H3,(H,18,19)
InChIKeyVCNKZMFFBLEJID-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.07
Rot. Bonds4

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

3-ethyl-1-[1-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid (PubChem CID 65064332) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 3-ethyl-1-[1-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-[1-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
PubChem CID65064332
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name3-ethyl-1-[1-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(C)c2ccc(F)cc2)C1
InChIInChI=1S/C15H20FNO2/c1-3-15(14(18)19)8-9-17(10-15)11(2)12-4-6-13(16)7-5-12/h4-7,11H,3,8-10H2,1-2H3,(H,18,19)
InChIKeyVCNKZMFFBLEJID-UHFFFAOYSA-N
XLogP3.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65063989
1-[1-(3-bromophenyl)ethyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 65064418
1-[1-(2,5-difluorophenyl)ethyl]-3-propylpyrrolidine-3-carboxylic acid
CID 65064384
1-[1-(2,5-difluorophenyl)ethyl]-3-ethylpiperidine-3-carboxylic acid
CID 65068630
3-ethyl-1-[1-(5-methylfuran-2-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 65064379
1-[1-(3-chloro-4-fluorophenyl)ethyl]-4-ethylpiperidine-4-carboxylic acid
CID 65066796
1-[1-(2-bromophenyl)ethyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 65063744
3-ethyl-1-[(4-fluorophenyl)methylsulfonyl]pyrrolidine-3-carboxylic acid
CID 63149488
1-[1-(3,4-dichlorophenyl)ethyl]-3-propylpyrrolidine-3-carboxylic acid
CID 65068465
2-ethyl-1-[1-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 83080564
1-[1-(1-methylpyrazol-4-yl)ethyl]-3-propylpyrrolidine-3-carboxylic acid
CID 65068753
3-ethyl-1-[1-(4-hydroxyphenyl)propan-2-yl]pyrrolidine-3-carboxylic acid
CID 115496197

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[1-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-[1-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid (CID 65064332) is 3-ethyl-1-[1-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-[1-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-[1-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(C(C)c2ccc(F)cc2)C1.
What is the InChIKey of 3-ethyl-1-[1-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is VCNKZMFFBLEJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-3-15(14(18)19)8-9-17(10-15)11(2)12-4-6-13(16)7-5-12/h4-7,11H,3,8-10H2,1-2H3,(H,18,19).
What are the key properties of 3-ethyl-1-[1-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid?
3-ethyl-1-[1-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 265.33 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[1-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 65064332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).