methyl 4-(2-ethoxy-2-oxoethyl)-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate

C13H16N2O4 — CID 6488323

IUPACmethyl 4-(2-ethoxy-2-oxoethyl)-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)Cn1c(C(=O)OC)cc2c1ccn2C
InChIInChI=1S/C13H16N2O4/c1-4-19-12(16)8-15-9-5-6-14(2)10(9)7-11(15)13(17)18-3/h5-7H,4,8H2,1-3H3
InChIKeyGFYLPSQLUYMDOV-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.33
Rot. Bonds4

About methyl 4-(2-ethoxy-2-oxoethyl)-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate

methyl 4-(2-ethoxy-2-oxoethyl)-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate (PubChem CID 6488323) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl 4-(2-ethoxy-2-oxoethyl)-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-ethoxy-2-oxoethyl)-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate
PubChem CID6488323
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Namemethyl 4-(2-ethoxy-2-oxoethyl)-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)Cn1c(C(=O)OC)cc2c1ccn2C
InChIInChI=1S/C13H16N2O4/c1-4-19-12(16)8-15-9-5-6-14(2)10(9)7-11(15)13(17)18-3/h5-7H,4,8H2,1-3H3
InChIKeyGFYLPSQLUYMDOV-UHFFFAOYSA-N
XLogP1.33
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-methyl-4-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolo[3,2-b]pyrrole-5-carboxylate
CID 6488349
methyl 4-[(2,4-dichlorophenyl)methyl]-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate
CID 1449795
ethyl 4-[(2,6-dichlorophenyl)methyl]-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate
CID 1438797
ethyl 1-methyl-4-[(4-propan-2-ylphenyl)methyl]pyrrolo[3,2-b]pyrrole-5-carboxylate
CID 3231599
ethyl 4-[(4-cyanophenyl)methyl]-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate
CID 1449812
ethyl 1-methyl-4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]pyrrolo[3,2-b]pyrrole-5-carboxylate
CID 1451207
ethyl 2-(2,5-dimethylpyrrol-1-yl)acetate
CID 12894114
ethyl 2-(3-hydroxy-2-oxobenzimidazol-1-yl)acetate
CID 121354507
methyl 5-amino-1-(2-ethoxy-2-oxoethyl)-2-methylimidazole-4-carboxylate
CID 103544847
ethyl 1-(4-fluorophenyl)-4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]pyrrolo[3,2-b]pyrrole-5-carboxylate
CID 3231603
methyl 5-amino-1-(2-ethoxy-2-oxoethyl)imidazole-4-carboxylate
CID 103544849
methyl 1-(4-ethoxy-2-methyl-4-oxobutyl)-4,5,6-trimethylindole-2-carboxylate
CID 165003384

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-ethoxy-2-oxoethyl)-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 4-(2-ethoxy-2-oxoethyl)-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate (CID 6488323) is methyl 4-(2-ethoxy-2-oxoethyl)-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 4-(2-ethoxy-2-oxoethyl)-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 4-(2-ethoxy-2-oxoethyl)-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate is CCOC(=O)Cn1c(C(=O)OC)cc2c1ccn2C.
What is the InChIKey of methyl 4-(2-ethoxy-2-oxoethyl)-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is GFYLPSQLUYMDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-4-19-12(16)8-15-9-5-6-14(2)10(9)7-11(15)13(17)18-3/h5-7H,4,8H2,1-3H3.
What are the key properties of methyl 4-(2-ethoxy-2-oxoethyl)-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate?
methyl 4-(2-ethoxy-2-oxoethyl)-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 264.28 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-ethoxy-2-oxoethyl)-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 6488323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).