dimethyl 1-(carbamoylamino)-2-methylpyrrole-3,4-dicarboxylate

C10H13N3O5 — CID 11107917

IUPACdimethyl 1-(carbamoylamino)-2-methylpyrrole-3,4-dicarboxylate
SMILESCOC(=O)c1cn(NC(N)=O)c(C)c1C(=O)OC
InChIInChI=1S/C10H13N3O5/c1-5-7(9(15)18-3)6(8(14)17-2)4-13(5)12-10(11)16/h4H,1-3H3,(H3,11,12,16)
InChIKeyRJQVKYHFPLGPRK-UHFFFAOYSA-N
MW255.23 g/mol
LogP-0.01
Rot. Bonds3

About dimethyl 1-(carbamoylamino)-2-methylpyrrole-3,4-dicarboxylate

dimethyl 1-(carbamoylamino)-2-methylpyrrole-3,4-dicarboxylate (PubChem CID 11107917) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is dimethyl 1-(carbamoylamino)-2-methylpyrrole-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-(carbamoylamino)-2-methylpyrrole-3,4-dicarboxylate
PubChem CID11107917
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Namedimethyl 1-(carbamoylamino)-2-methylpyrrole-3,4-dicarboxylate
SMILESCOC(=O)c1cn(NC(N)=O)c(C)c1C(=O)OC
InChIInChI=1S/C10H13N3O5/c1-5-7(9(15)18-3)6(8(14)17-2)4-13(5)12-10(11)16/h4H,1-3H3,(H3,11,12,16)
InChIKeyRJQVKYHFPLGPRK-UHFFFAOYSA-N
XLogP-0.01
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl 2-amino-1-methylpyrrole-3,4-dicarboxylate
CID 112713972
trimethyl pyrrole-1,3,4-tricarboxylate
CID 91734196
dimethyl 2-amino-4-methylbenzene-1,3-dicarboxylate
CID 70548009
3-O-ethyl 4-O-methyl 1-(carbamoylamino)-2-(2-ethoxy-2-oxoethyl)-5-methylpyrrole-3,4-dicarboxylate
CID 23245183
dimethyl 3,6-dimethylpyridazine-4,5-dicarboxylate
CID 10878792
dimethyl 3,5-dimethylbenzene-1,2-dicarboxylate
CID 11499546
methyl 1,2-dimethylpyrrole-3-carboxylate
CID 91667853
methyl 4-formyl-1,2-dimethylpyrrole-3-carboxylate
CID 82408639
methyl 1,3-dimethylpyrazole-4-carboxylate
CID 12654287
methyl 2-bromo-5-methylbenzoate
CID 15110996
methyl 4-amino-2-methylthiophene-3-carboxylate
CID 12710776
dimethyl 3-methylbenzene-1,2-dicarboxylate;ethane
CID 144706370

Frequently Asked Questions

What is the IUPAC name of dimethyl 1-(carbamoylamino)-2-methylpyrrole-3,4-dicarboxylate?
The IUPAC name of dimethyl 1-(carbamoylamino)-2-methylpyrrole-3,4-dicarboxylate (CID 11107917) is dimethyl 1-(carbamoylamino)-2-methylpyrrole-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 1-(carbamoylamino)-2-methylpyrrole-3,4-dicarboxylate?
The canonical SMILES for dimethyl 1-(carbamoylamino)-2-methylpyrrole-3,4-dicarboxylate is COC(=O)c1cn(NC(N)=O)c(C)c1C(=O)OC.
What is the InChIKey of dimethyl 1-(carbamoylamino)-2-methylpyrrole-3,4-dicarboxylate?
The InChIKey is RJQVKYHFPLGPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c1-5-7(9(15)18-3)6(8(14)17-2)4-13(5)12-10(11)16/h4H,1-3H3,(H3,11,12,16).
What are the key properties of dimethyl 1-(carbamoylamino)-2-methylpyrrole-3,4-dicarboxylate?
dimethyl 1-(carbamoylamino)-2-methylpyrrole-3,4-dicarboxylate has a molecular weight of 255.23 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-(carbamoylamino)-2-methylpyrrole-3,4-dicarboxylate is sourced from PubChem (CID 11107917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).