ethyl 8-aminoindolizine-2-carboxylate

C11H12N2O2 — CID 131575928

IUPACethyl 8-aminoindolizine-2-carboxylate
SMILESCCOC(=O)c1cc2c(N)cccn2c1
InChIInChI=1S/C11H12N2O2/c1-2-15-11(14)8-6-10-9(12)4-3-5-13(10)7-8/h3-7H,2,12H2,1H3
InChIKeyGTKJFFKFHPHUPB-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.70
Rot. Bonds2

About ethyl 8-aminoindolizine-2-carboxylate

ethyl 8-aminoindolizine-2-carboxylate (PubChem CID 131575928) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is ethyl 8-aminoindolizine-2-carboxylate.

Molecular Properties

Compound Nameethyl 8-aminoindolizine-2-carboxylate
PubChem CID131575928
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Nameethyl 8-aminoindolizine-2-carboxylate
SMILESCCOC(=O)c1cc2c(N)cccn2c1
InChIInChI=1S/C11H12N2O2/c1-2-15-11(14)8-6-10-9(12)4-3-5-13(10)7-8/h3-7H,2,12H2,1H3
InChIKeyGTKJFFKFHPHUPB-UHFFFAOYSA-N
XLogP1.70
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 177359371
CID 177359371
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diethyl benzene-1,3-dicarboxylate
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ethyl 2-methylpyrrolo[2,1-b][1,3]thiazole-6-carboxylate
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ethyl 1-methylpyrrole-3-carboxylate;hydrochloride
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ethyl 5-methyl-1-phenylpyrrole-3-carboxylate
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CID 22756358
ethyl 4-amino-3-hydroxybenzoate
CID 12784565
ethyl pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate
CID 146473667
ethyl pyrrolo[2,1-c][1,2,4]triazine-3-carboxylate
CID 170452736
CID 158970570
CID 158970570

Frequently Asked Questions

What is the IUPAC name of ethyl 8-aminoindolizine-2-carboxylate?
The IUPAC name of ethyl 8-aminoindolizine-2-carboxylate (CID 131575928) is ethyl 8-aminoindolizine-2-carboxylate.
What is the SMILES notation for ethyl 8-aminoindolizine-2-carboxylate?
The canonical SMILES for ethyl 8-aminoindolizine-2-carboxylate is CCOC(=O)c1cc2c(N)cccn2c1.
What is the InChIKey of ethyl 8-aminoindolizine-2-carboxylate?
The InChIKey is GTKJFFKFHPHUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-2-15-11(14)8-6-10-9(12)4-3-5-13(10)7-8/h3-7H,2,12H2,1H3.
What are the key properties of ethyl 8-aminoindolizine-2-carboxylate?
ethyl 8-aminoindolizine-2-carboxylate has a molecular weight of 204.23 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-aminoindolizine-2-carboxylate is sourced from PubChem (CID 131575928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).