2-[(E)-2-(4-fluorophenyl)ethenyl]pyrrolidine-3-carboxylic acid

C13H14FNO2 — CID 82363531

IUPAC2-[(E)-2-(4-fluorophenyl)ethenyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCNC1/C=C/c1ccc(F)cc1
InChIInChI=1S/C13H14FNO2/c14-10-4-1-9(2-5-10)3-6-12-11(13(16)17)7-8-15-12/h1-6,11-12,15H,7-8H2,(H,16,17)/b6-3+
InChIKeyACIDIZBQANHBFR-ZZXKWVIFSA-N
MW235.26 g/mol
LogP1.90
Rot. Bonds3

About 2-[(E)-2-(4-fluorophenyl)ethenyl]pyrrolidine-3-carboxylic acid

2-[(E)-2-(4-fluorophenyl)ethenyl]pyrrolidine-3-carboxylic acid (PubChem CID 82363531) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is 2-[(E)-2-(4-fluorophenyl)ethenyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(E)-2-(4-fluorophenyl)ethenyl]pyrrolidine-3-carboxylic acid
PubChem CID82363531
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Name2-[(E)-2-(4-fluorophenyl)ethenyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCNC1/C=C/c1ccc(F)cc1
InChIInChI=1S/C13H14FNO2/c14-10-4-1-9(2-5-10)3-6-12-11(13(16)17)7-8-15-12/h1-6,11-12,15H,7-8H2,(H,16,17)/b6-3+
InChIKeyACIDIZBQANHBFR-ZZXKWVIFSA-N
XLogP1.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzylpyrrolidine-3-carboxylic Acid
CID 4617348
4-[(2-Fluorobenzyl)amino]butanoic acid
CID 3237914
1-Benzyl-3-fluoropyrrolidine-3-carboxylic acid
CID 84028397
Butanoic acid, 4-[(2-phenylethyl)amino]-
CID 12220647
N-(2-fluorobenzyl)-beta-alanine
CID 2097945
1-[2-Amino-1-(3-fluoro-phenyl)-ethyl]-pyrrolidine-3-carboxylic acid
CID 44890907
1-(2-Amino-1-(4-fluorophenyl)ethyl)pyrrolidine-3-carboxylic acid
CID 44890908
4-{[(4-Fluorophenyl)methyl]amino}butanoic acid hydrochloride
CID 45791477
2-Phenylpyrrolidine-3-carboxylic acid hydrochloride
CID 53408541
rac-(3R,4S)-4-(3,5-difluorophenyl)pyrrolidine-3-carboxylic acid hydrochloride
CID 146049665
3-(Benzylamino)butanoic acid
CID 2733682
4-(benzylamino)butanoic Acid
CID 5743524

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-fluorophenyl)ethenyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 2-[(E)-2-(4-fluorophenyl)ethenyl]pyrrolidine-3-carboxylic acid (CID 82363531) is 2-[(E)-2-(4-fluorophenyl)ethenyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-[(E)-2-(4-fluorophenyl)ethenyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-[(E)-2-(4-fluorophenyl)ethenyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCNC1/C=C/c1ccc(F)cc1.
What is the InChIKey of 2-[(E)-2-(4-fluorophenyl)ethenyl]pyrrolidine-3-carboxylic acid?
The InChIKey is ACIDIZBQANHBFR-ZZXKWVIFSA-N. The full InChI is InChI=1S/C13H14FNO2/c14-10-4-1-9(2-5-10)3-6-12-11(13(16)17)7-8-15-12/h1-6,11-12,15H,7-8H2,(H,16,17)/b6-3+.
What are the key properties of 2-[(E)-2-(4-fluorophenyl)ethenyl]pyrrolidine-3-carboxylic acid?
2-[(E)-2-(4-fluorophenyl)ethenyl]pyrrolidine-3-carboxylic acid has a molecular weight of 235.26 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-fluorophenyl)ethenyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 82363531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).