2-[2-(2-fluoropropan-2-yl)-1H-imidazol-5-yl]propanoic acid

C9H13FN2O2 — CID 84775751

IUPAC2-[2-(2-fluoropropan-2-yl)-1H-imidazol-5-yl]propanoic acid
SMILESCC(C(=O)O)c1cnc(C(C)(C)F)[nH]1
InChIInChI=1S/C9H13FN2O2/c1-5(7(13)14)6-4-11-8(12-6)9(2,3)10/h4-5H,1-3H3,(H,11,12)(H,13,14)
InChIKeyWVRMYUKRCGLJMZ-UHFFFAOYSA-N
MW200.21 g/mol
LogP1.80
Rot. Bonds3

About 2-[2-(2-fluoropropan-2-yl)-1H-imidazol-5-yl]propanoic acid

2-[2-(2-fluoropropan-2-yl)-1H-imidazol-5-yl]propanoic acid (PubChem CID 84775751) has the molecular formula C9H13FN2O2 and a molecular weight of 200.21 g/mol. Its IUPAC name is 2-[2-(2-fluoropropan-2-yl)-1H-imidazol-5-yl]propanoic acid.

Molecular Properties

Compound Name2-[2-(2-fluoropropan-2-yl)-1H-imidazol-5-yl]propanoic acid
PubChem CID84775751
Molecular FormulaC9H13FN2O2
Molecular Weight200.21 g/mol
Exact Mass200.10
IUPAC Name2-[2-(2-fluoropropan-2-yl)-1H-imidazol-5-yl]propanoic acid
SMILESCC(C(=O)O)c1cnc(C(C)(C)F)[nH]1
InChIInChI=1S/C9H13FN2O2/c1-5(7(13)14)6-4-11-8(12-6)9(2,3)10/h4-5H,1-3H3,(H,11,12)(H,13,14)
InChIKeyWVRMYUKRCGLJMZ-UHFFFAOYSA-N
XLogP1.80
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoropropan-2-yl)-1H-imidazol-5-yl]propanoic acid?
The IUPAC name of 2-[2-(2-fluoropropan-2-yl)-1H-imidazol-5-yl]propanoic acid (CID 84775751) is 2-[2-(2-fluoropropan-2-yl)-1H-imidazol-5-yl]propanoic acid.
What is the SMILES notation for 2-[2-(2-fluoropropan-2-yl)-1H-imidazol-5-yl]propanoic acid?
The canonical SMILES for 2-[2-(2-fluoropropan-2-yl)-1H-imidazol-5-yl]propanoic acid is CC(C(=O)O)c1cnc(C(C)(C)F)[nH]1.
What is the InChIKey of 2-[2-(2-fluoropropan-2-yl)-1H-imidazol-5-yl]propanoic acid?
The InChIKey is WVRMYUKRCGLJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O2/c1-5(7(13)14)6-4-11-8(12-6)9(2,3)10/h4-5H,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 2-[2-(2-fluoropropan-2-yl)-1H-imidazol-5-yl]propanoic acid?
2-[2-(2-fluoropropan-2-yl)-1H-imidazol-5-yl]propanoic acid has a molecular weight of 200.21 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoropropan-2-yl)-1H-imidazol-5-yl]propanoic acid is sourced from PubChem (CID 84775751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).