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

C9H12N2O4 — CID 112713972

IUPACdimethyl 2-amino-1-methylpyrrole-3,4-dicarboxylate
SMILESCOC(=O)c1cn(C)c(N)c1C(=O)OC
InChIInChI=1S/C9H12N2O4/c1-11-4-5(8(12)14-2)6(7(11)10)9(13)15-3/h4H,10H2,1-3H3
InChIKeyJUFSTCORXBVSTF-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.18
Rot. Bonds2

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

dimethyl 2-amino-1-methylpyrrole-3,4-dicarboxylate (PubChem CID 112713972) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is dimethyl 2-amino-1-methylpyrrole-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-amino-1-methylpyrrole-3,4-dicarboxylate
PubChem CID112713972
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Namedimethyl 2-amino-1-methylpyrrole-3,4-dicarboxylate
SMILESCOC(=O)c1cn(C)c(N)c1C(=O)OC
InChIInChI=1S/C9H12N2O4/c1-11-4-5(8(12)14-2)6(7(11)10)9(13)15-3/h4H,10H2,1-3H3
InChIKeyJUFSTCORXBVSTF-UHFFFAOYSA-N
XLogP0.18
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

diethyl 2-amino-1-methylpyrrole-3,4-dicarboxylate
CID 578820
dimethyl 1-(carbamoylamino)-2-methylpyrrole-3,4-dicarboxylate
CID 11107917
dimethyl 4,5-diaminobenzene-1,2-dicarboxylate
CID 14574480
dimethyl 3-aminobenzene-1,2-dicarboxylate
CID 13399384
dimethyl 2-amino-4-methylbenzene-1,3-dicarboxylate
CID 70548009
methyl 1,2-dimethylpyrrole-3-carboxylate
CID 91667853
trimethyl pyrrole-1,3,4-tricarboxylate
CID 91734196
dimethyl 2,5-diaminobenzene-1,3-dicarboxylate
CID 46260640
3-methoxycarbonyl-1,2,4-trimethyl-7-oxopyrrolo[3,2-b]pyridine-6-carboxylic acid
CID 13415414
methyl 3-carbonochloridoyl-5-fluoro-1-methylindole-6-carboxylate
CID 170653116
methyl 2-amino-1-methyl-6-oxo-4-(1-phenylethenyl)pyridine-3-carboxylate
CID 165394428
methyl 4-formyl-1,2-dimethylpyrrole-3-carboxylate
CID 82408639

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-amino-1-methylpyrrole-3,4-dicarboxylate?
The IUPAC name of dimethyl 2-amino-1-methylpyrrole-3,4-dicarboxylate (CID 112713972) is dimethyl 2-amino-1-methylpyrrole-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-amino-1-methylpyrrole-3,4-dicarboxylate?
The canonical SMILES for dimethyl 2-amino-1-methylpyrrole-3,4-dicarboxylate is COC(=O)c1cn(C)c(N)c1C(=O)OC.
What is the InChIKey of dimethyl 2-amino-1-methylpyrrole-3,4-dicarboxylate?
The InChIKey is JUFSTCORXBVSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-11-4-5(8(12)14-2)6(7(11)10)9(13)15-3/h4H,10H2,1-3H3.
What are the key properties of dimethyl 2-amino-1-methylpyrrole-3,4-dicarboxylate?
dimethyl 2-amino-1-methylpyrrole-3,4-dicarboxylate has a molecular weight of 212.20 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-amino-1-methylpyrrole-3,4-dicarboxylate is sourced from PubChem (CID 112713972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).