2-ethoxycarbonyl-1H-indole-5-carboxylic acid

C12H11NO4 — CID 18071365

IUPAC2-ethoxycarbonyl-1H-indole-5-carboxylic acid
SMILESCCOC(=O)c1cc2cc(C(=O)O)ccc2[nH]1
InChIInChI=1S/C12H11NO4/c1-2-17-12(16)10-6-8-5-7(11(14)15)3-4-9(8)13-10/h3-6,13H,2H2,1H3,(H,14,15)
InChIKeyCAVYPAYXEMVXMS-UHFFFAOYSA-N
MW233.22 g/mol
LogP2.04
Rot. Bonds3

About 2-ethoxycarbonyl-1H-indole-5-carboxylic acid

2-ethoxycarbonyl-1H-indole-5-carboxylic acid (PubChem CID 18071365) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is 2-ethoxycarbonyl-1H-indole-5-carboxylic acid.

Molecular Properties

Compound Name2-ethoxycarbonyl-1H-indole-5-carboxylic acid
PubChem CID18071365
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name2-ethoxycarbonyl-1H-indole-5-carboxylic acid
SMILESCCOC(=O)c1cc2cc(C(=O)O)ccc2[nH]1
InChIInChI=1S/C12H11NO4/c1-2-17-12(16)10-6-8-5-7(11(14)15)3-4-9(8)13-10/h3-6,13H,2H2,1H3,(H,14,15)
InChIKeyCAVYPAYXEMVXMS-UHFFFAOYSA-N
XLogP2.04
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxycarbonyl-1H-indole-5-carboxylic acid?
The IUPAC name of 2-ethoxycarbonyl-1H-indole-5-carboxylic acid (CID 18071365) is 2-ethoxycarbonyl-1H-indole-5-carboxylic acid.
What is the SMILES notation for 2-ethoxycarbonyl-1H-indole-5-carboxylic acid?
The canonical SMILES for 2-ethoxycarbonyl-1H-indole-5-carboxylic acid is CCOC(=O)c1cc2cc(C(=O)O)ccc2[nH]1.
What is the InChIKey of 2-ethoxycarbonyl-1H-indole-5-carboxylic acid?
The InChIKey is CAVYPAYXEMVXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-2-17-12(16)10-6-8-5-7(11(14)15)3-4-9(8)13-10/h3-6,13H,2H2,1H3,(H,14,15).
What are the key properties of 2-ethoxycarbonyl-1H-indole-5-carboxylic acid?
2-ethoxycarbonyl-1H-indole-5-carboxylic acid has a molecular weight of 233.22 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxycarbonyl-1H-indole-5-carboxylic acid is sourced from PubChem (CID 18071365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).