ethyl 4-amino-1-cyclobutylpyrrole-3-carboxylate

C11H16N2O2 — CID 176705743

IUPACethyl 4-amino-1-cyclobutylpyrrole-3-carboxylate
SMILESCCOC(=O)c1cn(C2CCC2)cc1N
InChIInChI=1S/C11H16N2O2/c1-2-15-11(14)9-6-13(7-10(9)12)8-4-3-5-8/h6-8H,2-5,12H2,1H3
InChIKeyPVQILWMWXZCIAI-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.97
Rot. Bonds3

About ethyl 4-amino-1-cyclobutylpyrrole-3-carboxylate

ethyl 4-amino-1-cyclobutylpyrrole-3-carboxylate (PubChem CID 176705743) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is ethyl 4-amino-1-cyclobutylpyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-1-cyclobutylpyrrole-3-carboxylate
PubChem CID176705743
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Nameethyl 4-amino-1-cyclobutylpyrrole-3-carboxylate
SMILESCCOC(=O)c1cn(C2CCC2)cc1N
InChIInChI=1S/C11H16N2O2/c1-2-15-11(14)9-6-13(7-10(9)12)8-4-3-5-8/h6-8H,2-5,12H2,1H3
InChIKeyPVQILWMWXZCIAI-UHFFFAOYSA-N
XLogP1.97
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 86258713
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CID 90379200
ethyl 2-amino-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]benzoate
CID 104968336
ethyl 1-cyclohexyl-5-methylpyrazole-4-carboxylate
CID 58861401
cyclohexanol;diethyl benzene-1,2-dicarboxylate
CID 157482409
ethyl 5-arsanyl-1-cyclohexylpyrazole-4-carboxylate
CID 173179527
ethyl 2-amino-5-cyclohexyloxybenzoate
CID 61312279
ethyl 2-amino-5-[cyclohexyl(methyl)amino]benzoate
CID 61305640
ethyl 1-cyclopropyl-5,6-dimethylidene-4-oxopyridine-3-carboxylate
CID 123582149
ethyl 2-cyclobutyltriazole-4-carboxylate
CID 129164713
ethyl 2-cyclobutylbenzoate
CID 106942755

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-1-cyclobutylpyrrole-3-carboxylate?
The IUPAC name of ethyl 4-amino-1-cyclobutylpyrrole-3-carboxylate (CID 176705743) is ethyl 4-amino-1-cyclobutylpyrrole-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-1-cyclobutylpyrrole-3-carboxylate?
The canonical SMILES for ethyl 4-amino-1-cyclobutylpyrrole-3-carboxylate is CCOC(=O)c1cn(C2CCC2)cc1N.
What is the InChIKey of ethyl 4-amino-1-cyclobutylpyrrole-3-carboxylate?
The InChIKey is PVQILWMWXZCIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-15-11(14)9-6-13(7-10(9)12)8-4-3-5-8/h6-8H,2-5,12H2,1H3.
What are the key properties of ethyl 4-amino-1-cyclobutylpyrrole-3-carboxylate?
ethyl 4-amino-1-cyclobutylpyrrole-3-carboxylate has a molecular weight of 208.26 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-1-cyclobutylpyrrole-3-carboxylate is sourced from PubChem (CID 176705743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).