2-(2-ethoxycarbonyl-3-ethyl-5-fluoro-1-methyl-2H-indol-3-yl)acetic acid

C16H20FNO4 — CID 18780517

IUPAC2-(2-ethoxycarbonyl-3-ethyl-5-fluoro-1-methyl-2H-indol-3-yl)acetic acid
SMILESCCOC(=O)C1N(C)c2ccc(F)cc2C1(CC)CC(=O)O
InChIInChI=1S/C16H20FNO4/c1-4-16(9-13(19)20)11-8-10(17)6-7-12(11)18(3)14(16)15(21)22-5-2/h6-8,14H,4-5,9H2,1-3H3,(H,19,20)
InChIKeyRWGMUWIZSCHXQK-UHFFFAOYSA-N
MW309.34 g/mol
LogP2.33
Rot. Bonds5

About 2-(2-ethoxycarbonyl-3-ethyl-5-fluoro-1-methyl-2H-indol-3-yl)acetic acid

2-(2-ethoxycarbonyl-3-ethyl-5-fluoro-1-methyl-2H-indol-3-yl)acetic acid (PubChem CID 18780517) has the molecular formula C16H20FNO4 and a molecular weight of 309.34 g/mol. Its IUPAC name is 2-(2-ethoxycarbonyl-3-ethyl-5-fluoro-1-methyl-2H-indol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2-ethoxycarbonyl-3-ethyl-5-fluoro-1-methyl-2H-indol-3-yl)acetic acid
PubChem CID18780517
Molecular FormulaC16H20FNO4
Molecular Weight309.34 g/mol
Exact Mass309.14
IUPAC Name2-(2-ethoxycarbonyl-3-ethyl-5-fluoro-1-methyl-2H-indol-3-yl)acetic acid
SMILESCCOC(=O)C1N(C)c2ccc(F)cc2C1(CC)CC(=O)O
InChIInChI=1S/C16H20FNO4/c1-4-16(9-13(19)20)11-8-10(17)6-7-12(11)18(3)14(16)15(21)22-5-2/h6-8,14H,4-5,9H2,1-3H3,(H,19,20)
InChIKeyRWGMUWIZSCHXQK-UHFFFAOYSA-N
XLogP2.33
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxycarbonyl-3-ethyl-5-fluoro-1-methyl-2H-indol-3-yl)acetic acid?
The IUPAC name of 2-(2-ethoxycarbonyl-3-ethyl-5-fluoro-1-methyl-2H-indol-3-yl)acetic acid (CID 18780517) is 2-(2-ethoxycarbonyl-3-ethyl-5-fluoro-1-methyl-2H-indol-3-yl)acetic acid.
What is the SMILES notation for 2-(2-ethoxycarbonyl-3-ethyl-5-fluoro-1-methyl-2H-indol-3-yl)acetic acid?
The canonical SMILES for 2-(2-ethoxycarbonyl-3-ethyl-5-fluoro-1-methyl-2H-indol-3-yl)acetic acid is CCOC(=O)C1N(C)c2ccc(F)cc2C1(CC)CC(=O)O.
What is the InChIKey of 2-(2-ethoxycarbonyl-3-ethyl-5-fluoro-1-methyl-2H-indol-3-yl)acetic acid?
The InChIKey is RWGMUWIZSCHXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO4/c1-4-16(9-13(19)20)11-8-10(17)6-7-12(11)18(3)14(16)15(21)22-5-2/h6-8,14H,4-5,9H2,1-3H3,(H,19,20).
What are the key properties of 2-(2-ethoxycarbonyl-3-ethyl-5-fluoro-1-methyl-2H-indol-3-yl)acetic acid?
2-(2-ethoxycarbonyl-3-ethyl-5-fluoro-1-methyl-2H-indol-3-yl)acetic acid has a molecular weight of 309.34 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxycarbonyl-3-ethyl-5-fluoro-1-methyl-2H-indol-3-yl)acetic acid is sourced from PubChem (CID 18780517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).