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

C15H20FNO2 — CID 83080388

IUPAC2-ethyl-1-[1-(3-fluorophenyl)ethyl]pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(C)c1cccc(F)c1
InChIInChI=1S/C15H20FNO2/c1-3-15(14(18)19)8-5-9-17(15)11(2)12-6-4-7-13(16)10-12/h4,6-7,10-11H,3,5,8-9H2,1-2H3,(H,18,19)
InChIKeySBIVJVIBNMDIAT-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.22
Rot. Bonds4

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

2-ethyl-1-[1-(3-fluorophenyl)ethyl]pyrrolidine-2-carboxylic acid (PubChem CID 83080388) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-ethyl-1-[1-(3-fluorophenyl)ethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-[1-(3-fluorophenyl)ethyl]pyrrolidine-2-carboxylic acid
PubChem CID83080388
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name2-ethyl-1-[1-(3-fluorophenyl)ethyl]pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(C)c1cccc(F)c1
InChIInChI=1S/C15H20FNO2/c1-3-15(14(18)19)8-5-9-17(15)11(2)12-6-4-7-13(16)10-12/h4,6-7,10-11H,3,5,8-9H2,1-2H3,(H,18,19)
InChIKeySBIVJVIBNMDIAT-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-(1-phenylethyl)pyrrolidine-2-carboxylic acid
CID 83080387
2-ethyl-1-[1-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 83080564
2-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]pyrrolidine-2-carboxylic acid
CID 114834844
1-[1-(2,4-dimethylphenyl)ethyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83080641
2-ethyl-1-[1-(2-fluorophenyl)propan-2-yl]pyrrolidine-2-carboxylic acid
CID 114834843
2-ethyl-1-[1-(1-methylcyclopropyl)ethyl]pyrrolidine-2-carboxylic acid
CID 83080824
2-ethyl-1-[1-(4-ethylphenyl)propyl]pyrrolidine-2-carboxylic acid
CID 83065191
1-[1-(3-fluorophenyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 65060567
3-fluoro-1-[2-(3-fluorophenyl)propanoyl]pyrrolidine-3-carboxylic acid
CID 119259491
1-[1-(2-chlorophenyl)ethyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106979306
1-[1-(3-fluorophenyl)ethyl]cyclopentan-1-ol
CID 144756929
2-(methoxymethyl)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 141285069

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[1-(3-fluorophenyl)ethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-[1-(3-fluorophenyl)ethyl]pyrrolidine-2-carboxylic acid (CID 83080388) is 2-ethyl-1-[1-(3-fluorophenyl)ethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-[1-(3-fluorophenyl)ethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-[1-(3-fluorophenyl)ethyl]pyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1C(C)c1cccc(F)c1.
What is the InChIKey of 2-ethyl-1-[1-(3-fluorophenyl)ethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is SBIVJVIBNMDIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-3-15(14(18)19)8-5-9-17(15)11(2)12-6-4-7-13(16)10-12/h4,6-7,10-11H,3,5,8-9H2,1-2H3,(H,18,19).
What are the key properties of 2-ethyl-1-[1-(3-fluorophenyl)ethyl]pyrrolidine-2-carboxylic acid?
2-ethyl-1-[1-(3-fluorophenyl)ethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 265.33 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[1-(3-fluorophenyl)ethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83080388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).