diethyl 1-amino-5-methylpyrrole-2,4-dicarboxylate

C11H16N2O4 — CID 167528912

IUPACdiethyl 1-amino-5-methylpyrrole-2,4-dicarboxylate
SMILESCCOC(=O)c1cc(C(=O)OCC)n(N)c1C
InChIInChI=1S/C11H16N2O4/c1-4-16-10(14)8-6-9(11(15)17-5-2)13(12)7(8)3/h6H,4-5,12H2,1-3H3
InChIKeyKRVGSUZBYBYFAZ-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.86
Rot. Bonds4

About diethyl 1-amino-5-methylpyrrole-2,4-dicarboxylate

diethyl 1-amino-5-methylpyrrole-2,4-dicarboxylate (PubChem CID 167528912) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is diethyl 1-amino-5-methylpyrrole-2,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 1-amino-5-methylpyrrole-2,4-dicarboxylate
PubChem CID167528912
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Namediethyl 1-amino-5-methylpyrrole-2,4-dicarboxylate
SMILESCCOC(=O)c1cc(C(=O)OCC)n(N)c1C
InChIInChI=1S/C11H16N2O4/c1-4-16-10(14)8-6-9(11(15)17-5-2)13(12)7(8)3/h6H,4-5,12H2,1-3H3
InChIKeyKRVGSUZBYBYFAZ-UHFFFAOYSA-N
XLogP0.86
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 ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1,2,5-trimethylpyrrole-3-carboxylate
CID 2322899
ethyl 1-amino-4-methylpyrrole-2-carboxylate
CID 90069465
tetraethyl pentacene-2,3,9,10-tetracarboxylate
CID 102587612
2-(3-ethoxycarbonyl-2,5-dimethylpyrrol-1-yl)acetic acid
CID 7130686
ethyl 5-[2-(tert-butylamino)-2-oxoacetyl]-1,2-dimethylpyrrole-3-carboxylate
CID 139533651
diethyl 1-[(4-bromophenyl)iminomethyl]-5-methylpyrrole-2,4-dicarboxylate
CID 132608255
diethyl 4,5-dichlorobenzene-1,2-dicarboxylate
CID 10517655
ethyl 1-aminopyrrolo[3,2-b]pyridine-2-carboxylate
CID 141290589
ethyl 2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxylate
CID 156700542
ethyl 1-amino-5-formylpyrrole-2-carboxylate
CID 137367564
ethyl 2,3,5-trihydroxybenzoate
CID 139843169
diethyl 2,5-dibutoxybenzene-1,4-dicarboxylate
CID 639937

Frequently Asked Questions

What is the IUPAC name of diethyl 1-amino-5-methylpyrrole-2,4-dicarboxylate?
The IUPAC name of diethyl 1-amino-5-methylpyrrole-2,4-dicarboxylate (CID 167528912) is diethyl 1-amino-5-methylpyrrole-2,4-dicarboxylate.
What is the SMILES notation for diethyl 1-amino-5-methylpyrrole-2,4-dicarboxylate?
The canonical SMILES for diethyl 1-amino-5-methylpyrrole-2,4-dicarboxylate is CCOC(=O)c1cc(C(=O)OCC)n(N)c1C.
What is the InChIKey of diethyl 1-amino-5-methylpyrrole-2,4-dicarboxylate?
The InChIKey is KRVGSUZBYBYFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-4-16-10(14)8-6-9(11(15)17-5-2)13(12)7(8)3/h6H,4-5,12H2,1-3H3.
What are the key properties of diethyl 1-amino-5-methylpyrrole-2,4-dicarboxylate?
diethyl 1-amino-5-methylpyrrole-2,4-dicarboxylate has a molecular weight of 240.26 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1-amino-5-methylpyrrole-2,4-dicarboxylate is sourced from PubChem (CID 167528912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).