2-amino-2-[3-(3-fluorophenyl)imidazol-4-yl]acetic acid

C11H10FN3O2 — CID 83896438

IUPAC2-amino-2-[3-(3-fluorophenyl)imidazol-4-yl]acetic acid
SMILESNC(C(=O)O)c1cncn1-c1cccc(F)c1
InChIInChI=1S/C11H10FN3O2/c12-7-2-1-3-8(4-7)15-6-14-5-9(15)10(13)11(16)17/h1-6,10H,13H2,(H,16,17)
InChIKeyUWKPXGBJHIVPSW-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.10
Rot. Bonds3

About 2-amino-2-[3-(3-fluorophenyl)imidazol-4-yl]acetic acid

2-amino-2-[3-(3-fluorophenyl)imidazol-4-yl]acetic acid (PubChem CID 83896438) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is 2-amino-2-[3-(3-fluorophenyl)imidazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[3-(3-fluorophenyl)imidazol-4-yl]acetic acid
PubChem CID83896438
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name2-amino-2-[3-(3-fluorophenyl)imidazol-4-yl]acetic acid
SMILESNC(C(=O)O)c1cncn1-c1cccc(F)c1
InChIInChI=1S/C11H10FN3O2/c12-7-2-1-3-8(4-7)15-6-14-5-9(15)10(13)11(16)17/h1-6,10H,13H2,(H,16,17)
InChIKeyUWKPXGBJHIVPSW-UHFFFAOYSA-N
XLogP1.10
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-(3-fluorophenyl)imidazol-4-yl]acetic acid?
The IUPAC name of 2-amino-2-[3-(3-fluorophenyl)imidazol-4-yl]acetic acid (CID 83896438) is 2-amino-2-[3-(3-fluorophenyl)imidazol-4-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[3-(3-fluorophenyl)imidazol-4-yl]acetic acid?
The canonical SMILES for 2-amino-2-[3-(3-fluorophenyl)imidazol-4-yl]acetic acid is NC(C(=O)O)c1cncn1-c1cccc(F)c1.
What is the InChIKey of 2-amino-2-[3-(3-fluorophenyl)imidazol-4-yl]acetic acid?
The InChIKey is UWKPXGBJHIVPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c12-7-2-1-3-8(4-7)15-6-14-5-9(15)10(13)11(16)17/h1-6,10H,13H2,(H,16,17).
What are the key properties of 2-amino-2-[3-(3-fluorophenyl)imidazol-4-yl]acetic acid?
2-amino-2-[3-(3-fluorophenyl)imidazol-4-yl]acetic acid has a molecular weight of 235.22 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-(3-fluorophenyl)imidazol-4-yl]acetic acid is sourced from PubChem (CID 83896438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).