ethyl 4-amino-1,2-dimethylpyrrole-3-carboxylate

C9H14N2O2 — CID 69086572

IUPACethyl 4-amino-1,2-dimethylpyrrole-3-carboxylate
SMILESCCOC(=O)c1c(N)cn(C)c1C
InChIInChI=1S/C9H14N2O2/c1-4-13-9(12)8-6(2)11(3)5-7(8)10/h5H,4,10H2,1-3H3
InChIKeyJPVCNTIEXGYWBH-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.09
Rot. Bonds2

About ethyl 4-amino-1,2-dimethylpyrrole-3-carboxylate

ethyl 4-amino-1,2-dimethylpyrrole-3-carboxylate (PubChem CID 69086572) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is ethyl 4-amino-1,2-dimethylpyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-1,2-dimethylpyrrole-3-carboxylate
PubChem CID69086572
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Nameethyl 4-amino-1,2-dimethylpyrrole-3-carboxylate
SMILESCCOC(=O)c1c(N)cn(C)c1C
InChIInChI=1S/C9H14N2O2/c1-4-13-9(12)8-6(2)11(3)5-7(8)10/h5H,4,10H2,1-3H3
InChIKeyJPVCNTIEXGYWBH-UHFFFAOYSA-N
XLogP1.09
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-acetyloxy-1,2-dimethylpyrrole-3-carboxylate
CID 121006178
diethyl 2-amino-1-methylpyrrole-3,4-dicarboxylate
CID 578820
ethyl 4-amino-3-hydroxy-1-methylpyrrole-2-carboxylate
CID 54696576
ethyl 4-amino-3-ethenyl-1-methylpyrrole-2-carboxylate
CID 146496132
ethyl 1-carbamoyl-2,4-dimethylpyrrole-3-carboxylate
CID 102414688
ethyl 6-amino-2-iodo-3,4-dimethylbenzoate
CID 59883392
ethyl 4-amino-1-methylimidazole-2-carboxylate;hydrochloride
CID 22349687
ethyl 2-amino-6-hydroxybenzoate
CID 70700315
ethyl 4-amino-2,3,5,6-tetramethylbenzoate
CID 154639052
ethyl 1,5-dimethylimidazole-4-carboxylate
CID 13143714
ethyl 3,5-dibromo-1-methylpyrazole-4-carboxylate
CID 24799526
ethyl 1-methyl-2,4-diphenylpyrrole-3-carboxylate
CID 10852115

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-1,2-dimethylpyrrole-3-carboxylate?
The IUPAC name of ethyl 4-amino-1,2-dimethylpyrrole-3-carboxylate (CID 69086572) is ethyl 4-amino-1,2-dimethylpyrrole-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-1,2-dimethylpyrrole-3-carboxylate?
The canonical SMILES for ethyl 4-amino-1,2-dimethylpyrrole-3-carboxylate is CCOC(=O)c1c(N)cn(C)c1C.
What is the InChIKey of ethyl 4-amino-1,2-dimethylpyrrole-3-carboxylate?
The InChIKey is JPVCNTIEXGYWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-4-13-9(12)8-6(2)11(3)5-7(8)10/h5H,4,10H2,1-3H3.
What are the key properties of ethyl 4-amino-1,2-dimethylpyrrole-3-carboxylate?
ethyl 4-amino-1,2-dimethylpyrrole-3-carboxylate has a molecular weight of 182.22 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-1,2-dimethylpyrrole-3-carboxylate is sourced from PubChem (CID 69086572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).