ethyl 3-amino-1H-indole-2-carboxylate

C11H12N2O2 — CID 732887

IUPACethyl 3-amino-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccccc2c1N
InChIInChI=1S/C11H12N2O2/c1-2-15-11(14)10-9(12)7-5-3-4-6-8(7)13-10/h3-6,13H,2,12H2,1H3
InChIKeyGQXOMZRZCLHBSH-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.93
Rot. Bonds2

About ethyl 3-amino-1H-indole-2-carboxylate

ethyl 3-amino-1H-indole-2-carboxylate (PubChem CID 732887) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is ethyl 3-amino-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-1H-indole-2-carboxylate
PubChem CID732887
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Nameethyl 3-amino-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccccc2c1N
InChIInChI=1S/C11H12N2O2/c1-2-15-11(14)10-9(12)7-5-3-4-6-8(7)13-10/h3-6,13H,2,12H2,1H3
InChIKeyGQXOMZRZCLHBSH-UHFFFAOYSA-N
XLogP1.93
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-1H-indole-2-carboxylate?
The IUPAC name of ethyl 3-amino-1H-indole-2-carboxylate (CID 732887) is ethyl 3-amino-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 3-amino-1H-indole-2-carboxylate is CCOC(=O)c1[nH]c2ccccc2c1N.
What is the InChIKey of ethyl 3-amino-1H-indole-2-carboxylate?
The InChIKey is GQXOMZRZCLHBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-2-15-11(14)10-9(12)7-5-3-4-6-8(7)13-10/h3-6,13H,2,12H2,1H3.
What are the key properties of ethyl 3-amino-1H-indole-2-carboxylate?
ethyl 3-amino-1H-indole-2-carboxylate has a molecular weight of 204.23 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-1H-indole-2-carboxylate is sourced from PubChem (CID 732887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).