5-amino-6-ethyl-1H-indole-2-carboxylic acid

C11H12N2O2 — CID 82396653

IUPAC5-amino-6-ethyl-1H-indole-2-carboxylic acid
SMILESCCc1cc2[nH]c(C(=O)O)cc2cc1N
InChIInChI=1S/C11H12N2O2/c1-2-6-4-9-7(3-8(6)12)5-10(13-9)11(14)15/h3-5,13H,2,12H2,1H3,(H,14,15)
InChIKeyAXHUTXZOTMKTOL-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.01
Rot. Bonds2

About 5-amino-6-ethyl-1H-indole-2-carboxylic acid

5-amino-6-ethyl-1H-indole-2-carboxylic acid (PubChem CID 82396653) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-amino-6-ethyl-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-ethyl-1H-indole-2-carboxylic acid
PubChem CID82396653
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name5-amino-6-ethyl-1H-indole-2-carboxylic acid
SMILESCCc1cc2[nH]c(C(=O)O)cc2cc1N
InChIInChI=1S/C11H12N2O2/c1-2-6-4-9-7(3-8(6)12)5-10(13-9)11(14)15/h3-5,13H,2,12H2,1H3,(H,14,15)
InChIKeyAXHUTXZOTMKTOL-UHFFFAOYSA-N
XLogP2.01
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-ethyl-1H-indole-2-carboxylic acid?
The IUPAC name of 5-amino-6-ethyl-1H-indole-2-carboxylic acid (CID 82396653) is 5-amino-6-ethyl-1H-indole-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-ethyl-1H-indole-2-carboxylic acid?
The canonical SMILES for 5-amino-6-ethyl-1H-indole-2-carboxylic acid is CCc1cc2[nH]c(C(=O)O)cc2cc1N.
What is the InChIKey of 5-amino-6-ethyl-1H-indole-2-carboxylic acid?
The InChIKey is AXHUTXZOTMKTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-2-6-4-9-7(3-8(6)12)5-10(13-9)11(14)15/h3-5,13H,2,12H2,1H3,(H,14,15).
What are the key properties of 5-amino-6-ethyl-1H-indole-2-carboxylic acid?
5-amino-6-ethyl-1H-indole-2-carboxylic acid has a molecular weight of 204.23 g/mol, XLogP of 2.01, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-ethyl-1H-indole-2-carboxylic acid is sourced from PubChem (CID 82396653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).