2-[5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-3-yl]acetic acid

C15H18FNO4 — CID 68855577

IUPAC2-[5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-3-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CC(CC(=O)O)c2cc(F)ccc21
InChIInChI=1S/C15H18FNO4/c1-15(2,3)21-14(20)17-8-9(6-13(18)19)11-7-10(16)4-5-12(11)17/h4-5,7,9H,6,8H2,1-3H3,(H,18,19)
InChIKeyNFPHRJQRSDBTBI-UHFFFAOYSA-N
MW295.31 g/mol
LogP3.14
Rot. Bonds2

About 2-[5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-3-yl]acetic acid

2-[5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-3-yl]acetic acid (PubChem CID 68855577) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-[5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-3-yl]acetic acid
PubChem CID68855577
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name2-[5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-3-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CC(CC(=O)O)c2cc(F)ccc21
InChIInChI=1S/C15H18FNO4/c1-15(2,3)21-14(20)17-8-9(6-13(18)19)11-7-10(16)4-5-12(11)17/h4-5,7,9H,6,8H2,1-3H3,(H,18,19)
InChIKeyNFPHRJQRSDBTBI-UHFFFAOYSA-N
XLogP3.14
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-3-yl]acetic acid?
The IUPAC name of 2-[5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-3-yl]acetic acid (CID 68855577) is 2-[5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-3-yl]acetic acid.
What is the SMILES notation for 2-[5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-3-yl]acetic acid?
The canonical SMILES for 2-[5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-3-yl]acetic acid is CC(C)(C)OC(=O)N1CC(CC(=O)O)c2cc(F)ccc21.
What is the InChIKey of 2-[5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-3-yl]acetic acid?
The InChIKey is NFPHRJQRSDBTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO4/c1-15(2,3)21-14(20)17-8-9(6-13(18)19)11-7-10(16)4-5-12(11)17/h4-5,7,9H,6,8H2,1-3H3,(H,18,19).
What are the key properties of 2-[5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-3-yl]acetic acid?
2-[5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-3-yl]acetic acid has a molecular weight of 295.31 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-3-yl]acetic acid is sourced from PubChem (CID 68855577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).