ethyl 4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylate

C13H20N2O5 — CID 166516983

IUPACethyl 4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]cc(OC)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H20N2O5/c1-6-19-11(16)10-9(8(18-5)7-14-10)15-12(17)20-13(2,3)4/h7,14H,6H2,1-5H3,(H,15,17)
InChIKeyAYZZLOXVFNJDJX-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.55
Rot. Bonds4

About ethyl 4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylate

ethyl 4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylate (PubChem CID 166516983) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is ethyl 4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylate
PubChem CID166516983
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Nameethyl 4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]cc(OC)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H20N2O5/c1-6-19-11(16)10-9(8(18-5)7-14-10)15-12(17)20-13(2,3)4/h7,14H,6H2,1-5H3,(H,15,17)
InChIKeyAYZZLOXVFNJDJX-UHFFFAOYSA-N
XLogP2.55
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-[ethoxycarbonylcarbamothioyl-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]amino]-4-methoxy-1H-pyrrole-2-carboxylate
CID 166516972
methyl 3-[ethoxycarbonylcarbamothioyl-[2-(1,1,3-trifluoropropan-2-yloxy)ethyl]amino]-4-methoxy-1H-pyrrole-2-carboxylate
CID 175343159
ethyl 3-[ethoxycarbonylcarbamothioyl-[2-(1,1,3-trifluoropropan-2-yloxy)ethyl]amino]-4-methoxy-1H-pyrrole-2-carboxylate
CID 175343175
Ethyl 4-[(tert-butoxycarbonyl)amino]-3-methoxy-1-methylpyrrole-2-carboxylate
CID 9966032
methyl 3-ethenyl-4-methoxy-1H-pyrrole-2-carboxylate
CID 53958831
Ethyl 3-((tert-butoxycarbonyl)amino)-1H-pyrrole-2-carboxylate
CID 69027053
ethyl 3-(methoxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylate
CID 70296441
1-(Cyclopropylmethyl)-3-isocyanato-4-[(2-methylpropan-2-yl)oxy]pyrrole-2-carboxylic acid
CID 88187568
Methyl 2-[(7-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-3-yl)oxy]acetate
CID 141038592
methyl 4-methoxy-3-methyl-1H-pyrrole-2-carboxylate
CID 141358438
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylate
CID 141364547
ethyl acetate;ethyl 3-amino-4-methyl-1H-pyrrole-2-carboxylate
CID 143058929

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylate?
The IUPAC name of ethyl 4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylate (CID 166516983) is ethyl 4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylate is CCOC(=O)c1[nH]cc(OC)c1NC(=O)OC(C)(C)C.
What is the InChIKey of ethyl 4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylate?
The InChIKey is AYZZLOXVFNJDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-6-19-11(16)10-9(8(18-5)7-14-10)15-12(17)20-13(2,3)4/h7,14H,6H2,1-5H3,(H,15,17).
What are the key properties of ethyl 4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylate?
ethyl 4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylate has a molecular weight of 284.31 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 166516983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).