diethyl 2-amino-1-methylpyrrole-3,4-dicarboxylate

C11H16N2O4 — CID 578820

IUPACdiethyl 2-amino-1-methylpyrrole-3,4-dicarboxylate
SMILESCCOC(=O)c1cn(C)c(N)c1C(=O)OCC
InChIInChI=1S/C11H16N2O4/c1-4-16-10(14)7-6-13(3)9(12)8(7)11(15)17-5-2/h6H,4-5,12H2,1-3H3
InChIKeyKAVHVKUNMLVBEC-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.96
Rot. Bonds4

About diethyl 2-amino-1-methylpyrrole-3,4-dicarboxylate

diethyl 2-amino-1-methylpyrrole-3,4-dicarboxylate (PubChem CID 578820) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is diethyl 2-amino-1-methylpyrrole-3,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-amino-1-methylpyrrole-3,4-dicarboxylate
PubChem CID578820
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Namediethyl 2-amino-1-methylpyrrole-3,4-dicarboxylate
SMILESCCOC(=O)c1cn(C)c(N)c1C(=O)OCC
InChIInChI=1S/C11H16N2O4/c1-4-16-10(14)7-6-13(3)9(12)8(7)11(15)17-5-2/h6H,4-5,12H2,1-3H3
InChIKeyKAVHVKUNMLVBEC-UHFFFAOYSA-N
XLogP0.96
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-amino-1,2-dimethylpyrrole-3-carboxylate
CID 69086572
ethyl 3-chloro-1-methyl-2-oxidopyrazol-2-ium-4-carboxylate
CID 155629698
ethyl 4,7-dimethoxy-1-methylindole-3-carboxylate
CID 100984244
ethene-1,1-diamine;ethyl 3-amino-1-methylpyrazole-4-carboxylate
CID 123601486
ethyl 4-acetyloxy-1,2-dimethylpyrrole-3-carboxylate
CID 121006178
diethyl phthalazine-6,7-dicarboxylate
CID 13115748
ethyl 4-amino-3-hydroxy-1-methylpyrrole-2-carboxylate
CID 54696576
ethyl 7-bromo-1,5-dimethylindole-3-carboxylate
CID 137376322
ethyl 5-acetyl-2-amino-1-methyl-6-oxopyridine-3-carboxylate
CID 2997731
ethyl 4-amino-1-methylimidazole-2-carboxylate;hydrochloride
CID 22349687
diethyl 2-ethoxyfuran-3,4-dicarboxylate
CID 12708714
diethyl 3,4-dimethylbenzene-1,2-dicarboxylate
CID 66647906

Frequently Asked Questions

What is the IUPAC name of diethyl 2-amino-1-methylpyrrole-3,4-dicarboxylate?
The IUPAC name of diethyl 2-amino-1-methylpyrrole-3,4-dicarboxylate (CID 578820) is diethyl 2-amino-1-methylpyrrole-3,4-dicarboxylate.
What is the SMILES notation for diethyl 2-amino-1-methylpyrrole-3,4-dicarboxylate?
The canonical SMILES for diethyl 2-amino-1-methylpyrrole-3,4-dicarboxylate is CCOC(=O)c1cn(C)c(N)c1C(=O)OCC.
What is the InChIKey of diethyl 2-amino-1-methylpyrrole-3,4-dicarboxylate?
The InChIKey is KAVHVKUNMLVBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-4-16-10(14)7-6-13(3)9(12)8(7)11(15)17-5-2/h6H,4-5,12H2,1-3H3.
What are the key properties of diethyl 2-amino-1-methylpyrrole-3,4-dicarboxylate?
diethyl 2-amino-1-methylpyrrole-3,4-dicarboxylate has a molecular weight of 240.26 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-amino-1-methylpyrrole-3,4-dicarboxylate is sourced from PubChem (CID 578820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).