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

C12H18N2O5 — CID 175343008

IUPACmethyl 4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1[nH]cc(OC)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C12H18N2O5/c1-12(2,3)19-11(16)14-8-7(17-4)6-13-9(8)10(15)18-5/h6,13H,1-5H3,(H,14,16)
InChIKeyGLLKIUUUXGCSNH-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.16
Rot. Bonds3

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

methyl 4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylate (PubChem CID 175343008) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is methyl 4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylate
PubChem CID175343008
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Namemethyl 4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1[nH]cc(OC)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C12H18N2O5/c1-12(2,3)19-11(16)14-8-7(17-4)6-13-9(8)10(15)18-5/h6,13H,1-5H3,(H,14,16)
InChIKeyGLLKIUUUXGCSNH-UHFFFAOYSA-N
XLogP2.16
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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 3-amino-4-methoxy-1H-pyrrole-2-carboxylate;hydrochloride
CID 166516945

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylate (CID 175343008) is methyl 4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylate is COC(=O)c1[nH]cc(OC)c1NC(=O)OC(C)(C)C.
What is the InChIKey of methyl 4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylate?
The InChIKey is GLLKIUUUXGCSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5/c1-12(2,3)19-11(16)14-8-7(17-4)6-13-9(8)10(15)18-5/h6,13H,1-5H3,(H,14,16).
What are the key properties of methyl 4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylate?
methyl 4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylate has a molecular weight of 270.28 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 175343008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).