3-[1-[2-(2-fluorophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanoic acid

C15H16FNO3 — CID 142676545

IUPAC3-[1-[2-(2-fluorophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanoic acid
SMILESO=C(O)CCC1=CCN(CCc2ccccc2F)C1=O
InChIInChI=1S/C15H16FNO3/c16-13-4-2-1-3-11(13)7-9-17-10-8-12(15(17)20)5-6-14(18)19/h1-4,8H,5-7,9-10H2,(H,18,19)
InChIKeyKCRPAIJPZUTEGZ-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.00
Rot. Bonds6

About 3-[1-[2-(2-fluorophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanoic acid

3-[1-[2-(2-fluorophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanoic acid (PubChem CID 142676545) has the molecular formula C15H16FNO3 and a molecular weight of 277.29 g/mol. Its IUPAC name is 3-[1-[2-(2-fluorophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[2-(2-fluorophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanoic acid
PubChem CID142676545
Molecular FormulaC15H16FNO3
Molecular Weight277.29 g/mol
Exact Mass277.11
IUPAC Name3-[1-[2-(2-fluorophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanoic acid
SMILESO=C(O)CCC1=CCN(CCc2ccccc2F)C1=O
InChIInChI=1S/C15H16FNO3/c16-13-4-2-1-3-11(13)7-9-17-10-8-12(15(17)20)5-6-14(18)19/h1-4,8H,5-7,9-10H2,(H,18,19)
InChIKeyKCRPAIJPZUTEGZ-UHFFFAOYSA-N
XLogP2.00
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[1-[2-(2-fluorophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-[2-(2-fluorophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide
CID 11162137
3-(2-fluorophenyl)propanoic acid
CID 2063866
3-[1-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]propanoic acid
CID 98017221
1-[2-(2-fluorophenyl)ethyl]-1,3-diazinane-2,4-dione
CID 79778174
1,5-bis(2-fluorophenyl)pentan-3-one
CID 70057472
3-[2-(2-fluorophenyl)ethyl-methylamino]propanoic acid
CID 94259708
2-[2-(2-fluorophenyl)ethylsulfanyl]acetic acid
CID 82158540
N-(3,5-dichlorophenyl)-1-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184309
3-[(2-fluorophenyl)methylsulfinyl]propanoic acid
CID 60982003
1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 110412011
1-[2-(2-fluorophenyl)ethyl]-3-methylpiperazine-2,5-dione
CID 64956982
N,1-bis[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184221

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(2-fluorophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanoic acid?
The IUPAC name of 3-[1-[2-(2-fluorophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanoic acid (CID 142676545) is 3-[1-[2-(2-fluorophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-[2-(2-fluorophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanoic acid?
The canonical SMILES for 3-[1-[2-(2-fluorophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanoic acid is O=C(O)CCC1=CCN(CCc2ccccc2F)C1=O.
What is the InChIKey of 3-[1-[2-(2-fluorophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanoic acid?
The InChIKey is KCRPAIJPZUTEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3/c16-13-4-2-1-3-11(13)7-9-17-10-8-12(15(17)20)5-6-14(18)19/h1-4,8H,5-7,9-10H2,(H,18,19).
What are the key properties of 3-[1-[2-(2-fluorophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanoic acid?
3-[1-[2-(2-fluorophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanoic acid has a molecular weight of 277.29 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(2-fluorophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanoic acid is sourced from PubChem (CID 142676545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).