2-[3-(2-fluoroethyl)imidazol-4-yl]propanoic acid

C8H11FN2O2 — CID 84660505

IUPAC2-[3-(2-fluoroethyl)imidazol-4-yl]propanoic acid
SMILESCC(C(=O)O)c1cncn1CCF
InChIInChI=1S/C8H11FN2O2/c1-6(8(12)13)7-4-10-5-11(7)3-2-9/h4-6H,2-3H2,1H3,(H,12,13)
InChIKeyBAYHGQXZJZIWRU-UHFFFAOYSA-N
MW186.19 g/mol
LogP1.04
Rot. Bonds4

About 2-[3-(2-fluoroethyl)imidazol-4-yl]propanoic acid

2-[3-(2-fluoroethyl)imidazol-4-yl]propanoic acid (PubChem CID 84660505) has the molecular formula C8H11FN2O2 and a molecular weight of 186.19 g/mol. Its IUPAC name is 2-[3-(2-fluoroethyl)imidazol-4-yl]propanoic acid.

Molecular Properties

Compound Name2-[3-(2-fluoroethyl)imidazol-4-yl]propanoic acid
PubChem CID84660505
Molecular FormulaC8H11FN2O2
Molecular Weight186.19 g/mol
Exact Mass186.08
IUPAC Name2-[3-(2-fluoroethyl)imidazol-4-yl]propanoic acid
SMILESCC(C(=O)O)c1cncn1CCF
InChIInChI=1S/C8H11FN2O2/c1-6(8(12)13)7-4-10-5-11(7)3-2-9/h4-6H,2-3H2,1H3,(H,12,13)
InChIKeyBAYHGQXZJZIWRU-UHFFFAOYSA-N
XLogP1.04
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethylimidazol-4-yl)propanoic acid
CID 83873746
3-(5-propan-2-ylimidazol-1-yl)propanoic acid
CID 82512164
2,2-difluoro-3-hydroxy-3-(3-propylimidazol-4-yl)propanoic acid
CID 66131850
2-(3-cyclopentylimidazol-4-yl)propanoic acid
CID 83883850
2-(diethylamino)-2-(3-propylimidazol-4-yl)acetic acid
CID 66130451
2-(2-methylpropylamino)-2-(3-propylimidazol-4-yl)acetic acid
CID 66130024
2-[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]propanoic acid
CID 84660872
(1S)-1-[3-(2-aminoethyl)imidazol-4-yl]ethanamine
CID 104942319
3-[5-(1-amino-2-methylpropyl)imidazol-1-yl]propanamide
CID 102969533
3-propylimidazole-4-carboxylic acid
CID 45082087
3-[5-[(1R)-1-aminoethyl]imidazol-1-yl]-N,N-dimethylpropanamide
CID 104942518
2-methyl-4-oxo-4-(3-propylimidazol-4-yl)butanoic acid
CID 66142305

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluoroethyl)imidazol-4-yl]propanoic acid?
The IUPAC name of 2-[3-(2-fluoroethyl)imidazol-4-yl]propanoic acid (CID 84660505) is 2-[3-(2-fluoroethyl)imidazol-4-yl]propanoic acid.
What is the SMILES notation for 2-[3-(2-fluoroethyl)imidazol-4-yl]propanoic acid?
The canonical SMILES for 2-[3-(2-fluoroethyl)imidazol-4-yl]propanoic acid is CC(C(=O)O)c1cncn1CCF.
What is the InChIKey of 2-[3-(2-fluoroethyl)imidazol-4-yl]propanoic acid?
The InChIKey is BAYHGQXZJZIWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O2/c1-6(8(12)13)7-4-10-5-11(7)3-2-9/h4-6H,2-3H2,1H3,(H,12,13).
What are the key properties of 2-[3-(2-fluoroethyl)imidazol-4-yl]propanoic acid?
2-[3-(2-fluoroethyl)imidazol-4-yl]propanoic acid has a molecular weight of 186.19 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluoroethyl)imidazol-4-yl]propanoic acid is sourced from PubChem (CID 84660505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).