3-(4-fluorophenyl)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-5-yl]propanoic acid

C22H24FNO4 — CID 70103803

IUPAC3-(4-fluorophenyl)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-5-yl]propanoic acid
SMILESCC(C)(C)OC(=O)N1CCc2cc(C(CC(=O)O)c3ccc(F)cc3)ccc21
InChIInChI=1S/C22H24FNO4/c1-22(2,3)28-21(27)24-11-10-16-12-15(6-9-19(16)24)18(13-20(25)26)14-4-7-17(23)8-5-14/h4-9,12,18H,10-11,13H2,1-3H3,(H,25,26)
InChIKeyGNKZRQKNGYFWGA-UHFFFAOYSA-N
MW385.44 g/mol
LogP4.73
Rot. Bonds4

About 3-(4-fluorophenyl)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-5-yl]propanoic acid

3-(4-fluorophenyl)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-5-yl]propanoic acid (PubChem CID 70103803) has the molecular formula C22H24FNO4 and a molecular weight of 385.44 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-5-yl]propanoic acid
PubChem CID70103803
Molecular FormulaC22H24FNO4
Molecular Weight385.44 g/mol
Exact Mass385.17
IUPAC Name3-(4-fluorophenyl)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-5-yl]propanoic acid
SMILESCC(C)(C)OC(=O)N1CCc2cc(C(CC(=O)O)c3ccc(F)cc3)ccc21
InChIInChI=1S/C22H24FNO4/c1-22(2,3)28-21(27)24-11-10-16-12-15(6-9-19(16)24)18(13-20(25)26)14-4-7-17(23)8-5-14/h4-9,12,18H,10-11,13H2,1-3H3,(H,25,26)
InChIKeyGNKZRQKNGYFWGA-UHFFFAOYSA-N
XLogP4.73
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-5-yl]propanoic acid?
The IUPAC name of 3-(4-fluorophenyl)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-5-yl]propanoic acid (CID 70103803) is 3-(4-fluorophenyl)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-5-yl]propanoic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-5-yl]propanoic acid?
The canonical SMILES for 3-(4-fluorophenyl)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-5-yl]propanoic acid is CC(C)(C)OC(=O)N1CCc2cc(C(CC(=O)O)c3ccc(F)cc3)ccc21.
What is the InChIKey of 3-(4-fluorophenyl)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-5-yl]propanoic acid?
The InChIKey is GNKZRQKNGYFWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO4/c1-22(2,3)28-21(27)24-11-10-16-12-15(6-9-19(16)24)18(13-20(25)26)14-4-7-17(23)8-5-14/h4-9,12,18H,10-11,13H2,1-3H3,(H,25,26).
What are the key properties of 3-(4-fluorophenyl)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-5-yl]propanoic acid?
3-(4-fluorophenyl)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-5-yl]propanoic acid has a molecular weight of 385.44 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-5-yl]propanoic acid is sourced from PubChem (CID 70103803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).