3-[2-(carboxymethyl)-4-fluorophenyl]propanoic acid

C11H11FO4 — CID 91883856

IUPAC3-[2-(carboxymethyl)-4-fluorophenyl]propanoic acid
SMILESO=C(O)CCc1ccc(F)cc1CC(=O)O
InChIInChI=1S/C11H11FO4/c12-9-3-1-7(2-4-10(13)14)8(5-9)6-11(15)16/h1,3,5H,2,4,6H2,(H,13,14)(H,15,16)
InChIKeyBHLGOFOQPOMIQC-UHFFFAOYSA-N
MW226.20 g/mol
LogP1.47
Rot. Bonds5

About 3-[2-(carboxymethyl)-4-fluorophenyl]propanoic acid

3-[2-(carboxymethyl)-4-fluorophenyl]propanoic acid (PubChem CID 91883856) has the molecular formula C11H11FO4 and a molecular weight of 226.20 g/mol. Its IUPAC name is 3-[2-(carboxymethyl)-4-fluorophenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-(carboxymethyl)-4-fluorophenyl]propanoic acid
PubChem CID91883856
Molecular FormulaC11H11FO4
Molecular Weight226.20 g/mol
Exact Mass226.06
IUPAC Name3-[2-(carboxymethyl)-4-fluorophenyl]propanoic acid
SMILESO=C(O)CCc1ccc(F)cc1CC(=O)O
InChIInChI=1S/C11H11FO4/c12-9-3-1-7(2-4-10(13)14)8(5-9)6-11(15)16/h1,3,5H,2,4,6H2,(H,13,14)(H,15,16)
InChIKeyBHLGOFOQPOMIQC-UHFFFAOYSA-N
XLogP1.47
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[2-(carboxymethyl)-4-fluorophenyl]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-(2,4-difluorophenyl)propanoic acid;hydrochloride
CID 175907360
3-(2-amino-5-fluorophenyl)propanoic acid
CID 84658918
2-[5-fluoro-2-(iodomethyl)phenyl]acetic acid
CID 91883853
3-[2-(carboxymethyl)-4-methylsulfanylphenyl]propanoic acid
CID 91881319
3-[2-(carboxymethyl)-4-(difluoromethyl)phenyl]propanoic acid
CID 118808140
3-[2-[carboxy(hydroxy)methyl]-4-fluorophenyl]propanoic acid
CID 118841930
2-[4-fluoro-2-(fluoromethyl)phenyl]acetic acid
CID 141066600
2-(4-fluoro-2-methylphenyl)acetic acid
CID 5016950
3-[3,4-bis(2-carboxyethyl)phenyl]propanoic acid
CID 11119944
3-(5-fluoro-1H-indol-3-yl)propanoic acid
CID 10899794
CID 6330703
CID 6330703
3-[2-(carboxymethyl)-5-chlorophenyl]propanoic acid
CID 118836350

Frequently Asked Questions

What is the IUPAC name of 3-[2-(carboxymethyl)-4-fluorophenyl]propanoic acid?
The IUPAC name of 3-[2-(carboxymethyl)-4-fluorophenyl]propanoic acid (CID 91883856) is 3-[2-(carboxymethyl)-4-fluorophenyl]propanoic acid.
What is the SMILES notation for 3-[2-(carboxymethyl)-4-fluorophenyl]propanoic acid?
The canonical SMILES for 3-[2-(carboxymethyl)-4-fluorophenyl]propanoic acid is O=C(O)CCc1ccc(F)cc1CC(=O)O.
What is the InChIKey of 3-[2-(carboxymethyl)-4-fluorophenyl]propanoic acid?
The InChIKey is BHLGOFOQPOMIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO4/c12-9-3-1-7(2-4-10(13)14)8(5-9)6-11(15)16/h1,3,5H,2,4,6H2,(H,13,14)(H,15,16).
What are the key properties of 3-[2-(carboxymethyl)-4-fluorophenyl]propanoic acid?
3-[2-(carboxymethyl)-4-fluorophenyl]propanoic acid has a molecular weight of 226.20 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(carboxymethyl)-4-fluorophenyl]propanoic acid is sourced from PubChem (CID 91883856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).