methyl 5-(2-methoxyethylcarbamoyl)-5-(2-methylpropyl)-2H-pyrrole-1-carboxylate

C14H24N2O4 — CID 5459667

IUPACmethyl 5-(2-methoxyethylcarbamoyl)-5-(2-methylpropyl)-2H-pyrrole-1-carboxylate
SMILESCOCCNC(=O)C1(CC(C)C)C=CCN1C(=O)OC
InChIInChI=1S/C14H24N2O4/c1-11(2)10-14(12(17)15-7-9-19-3)6-5-8-16(14)13(18)20-4/h5-6,11H,7-10H2,1-4H3,(H,15,17)
InChIKeyVJLFULLMGSFWKC-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.17
Rot. Bonds6

About methyl 5-(2-methoxyethylcarbamoyl)-5-(2-methylpropyl)-2H-pyrrole-1-carboxylate

methyl 5-(2-methoxyethylcarbamoyl)-5-(2-methylpropyl)-2H-pyrrole-1-carboxylate (PubChem CID 5459667) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is methyl 5-(2-methoxyethylcarbamoyl)-5-(2-methylpropyl)-2H-pyrrole-1-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-methoxyethylcarbamoyl)-5-(2-methylpropyl)-2H-pyrrole-1-carboxylate
PubChem CID5459667
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Namemethyl 5-(2-methoxyethylcarbamoyl)-5-(2-methylpropyl)-2H-pyrrole-1-carboxylate
SMILESCOCCNC(=O)C1(CC(C)C)C=CCN1C(=O)OC
InChIInChI=1S/C14H24N2O4/c1-11(2)10-14(12(17)15-7-9-19-3)6-5-8-16(14)13(18)20-4/h5-6,11H,7-10H2,1-4H3,(H,15,17)
InChIKeyVJLFULLMGSFWKC-UHFFFAOYSA-N
XLogP1.17
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-methoxyethylcarbamoyl)-5-(2-methylpropyl)-2H-pyrrole-1-carboxylate?
The IUPAC name of methyl 5-(2-methoxyethylcarbamoyl)-5-(2-methylpropyl)-2H-pyrrole-1-carboxylate (CID 5459667) is methyl 5-(2-methoxyethylcarbamoyl)-5-(2-methylpropyl)-2H-pyrrole-1-carboxylate.
What is the SMILES notation for methyl 5-(2-methoxyethylcarbamoyl)-5-(2-methylpropyl)-2H-pyrrole-1-carboxylate?
The canonical SMILES for methyl 5-(2-methoxyethylcarbamoyl)-5-(2-methylpropyl)-2H-pyrrole-1-carboxylate is COCCNC(=O)C1(CC(C)C)C=CCN1C(=O)OC.
What is the InChIKey of methyl 5-(2-methoxyethylcarbamoyl)-5-(2-methylpropyl)-2H-pyrrole-1-carboxylate?
The InChIKey is VJLFULLMGSFWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-11(2)10-14(12(17)15-7-9-19-3)6-5-8-16(14)13(18)20-4/h5-6,11H,7-10H2,1-4H3,(H,15,17).
What are the key properties of methyl 5-(2-methoxyethylcarbamoyl)-5-(2-methylpropyl)-2H-pyrrole-1-carboxylate?
methyl 5-(2-methoxyethylcarbamoyl)-5-(2-methylpropyl)-2H-pyrrole-1-carboxylate has a molecular weight of 284.36 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-methoxyethylcarbamoyl)-5-(2-methylpropyl)-2H-pyrrole-1-carboxylate is sourced from PubChem (CID 5459667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).