[2-oxo-2-(propylcarbamoylamino)ethyl] 1,5-dimethylpyrrole-2-carboxylate

C13H19N3O4 — CID 38866405

IUPAC[2-oxo-2-(propylcarbamoylamino)ethyl] 1,5-dimethylpyrrole-2-carboxylate
SMILESCCCNC(=O)NC(=O)COC(=O)c1ccc(C)n1C
InChIInChI=1S/C13H19N3O4/c1-4-7-14-13(19)15-11(17)8-20-12(18)10-6-5-9(2)16(10)3/h5-6H,4,7-8H2,1-3H3,(H2,14,15,17,19)
InChIKeyFHYHWLVKCPCCPL-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.73
Rot. Bonds5

About [2-oxo-2-(propylcarbamoylamino)ethyl] 1,5-dimethylpyrrole-2-carboxylate

[2-oxo-2-(propylcarbamoylamino)ethyl] 1,5-dimethylpyrrole-2-carboxylate (PubChem CID 38866405) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is [2-oxo-2-(propylcarbamoylamino)ethyl] 1,5-dimethylpyrrole-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(propylcarbamoylamino)ethyl] 1,5-dimethylpyrrole-2-carboxylate
PubChem CID38866405
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name[2-oxo-2-(propylcarbamoylamino)ethyl] 1,5-dimethylpyrrole-2-carboxylate
SMILESCCCNC(=O)NC(=O)COC(=O)c1ccc(C)n1C
InChIInChI=1S/C13H19N3O4/c1-4-7-14-13(19)15-11(17)8-20-12(18)10-6-5-9(2)16(10)3/h5-6H,4,7-8H2,1-3H3,(H2,14,15,17,19)
InChIKeyFHYHWLVKCPCCPL-UHFFFAOYSA-N
XLogP0.73
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(butylamino)-2-oxoethyl] 1,5-dimethylpyrrole-2-carboxylate
CID 55449158
[2-oxo-2-(propylcarbamoylamino)ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate
CID 16520375
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1,5-dimethylpyrrole-2-carboxylate
CID 55449303
[2-oxo-2-(propylcarbamoylamino)ethyl] 4-ethylbenzoate
CID 2607035
[2-oxo-2-(propylcarbamoylamino)ethyl] 2,4-dimethylbenzoate
CID 2544060
[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 2485089
[2-oxo-2-(propylcarbamoylamino)ethyl] 2,5-dimethylthiophene-3-carboxylate
CID 7648583
[2-oxo-2-(propylcarbamoylamino)ethyl] 1-oxidopyridin-1-ium-2-carboxylate
CID 7802960
[2-oxo-2-(propylcarbamoylamino)ethyl] 4-(difluoromethoxy)benzoate
CID 2612537
[2-oxo-2-(propylcarbamoylamino)ethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 2667653
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 2572607
[2-oxo-2-(propylcarbamoylamino)ethyl] 6-chloropyridine-3-carboxylate
CID 2589684

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 1,5-dimethylpyrrole-2-carboxylate?
The IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 1,5-dimethylpyrrole-2-carboxylate (CID 38866405) is [2-oxo-2-(propylcarbamoylamino)ethyl] 1,5-dimethylpyrrole-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(propylcarbamoylamino)ethyl] 1,5-dimethylpyrrole-2-carboxylate?
The canonical SMILES for [2-oxo-2-(propylcarbamoylamino)ethyl] 1,5-dimethylpyrrole-2-carboxylate is CCCNC(=O)NC(=O)COC(=O)c1ccc(C)n1C.
What is the InChIKey of [2-oxo-2-(propylcarbamoylamino)ethyl] 1,5-dimethylpyrrole-2-carboxylate?
The InChIKey is FHYHWLVKCPCCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-4-7-14-13(19)15-11(17)8-20-12(18)10-6-5-9(2)16(10)3/h5-6H,4,7-8H2,1-3H3,(H2,14,15,17,19).
What are the key properties of [2-oxo-2-(propylcarbamoylamino)ethyl] 1,5-dimethylpyrrole-2-carboxylate?
[2-oxo-2-(propylcarbamoylamino)ethyl] 1,5-dimethylpyrrole-2-carboxylate has a molecular weight of 281.31 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propylcarbamoylamino)ethyl] 1,5-dimethylpyrrole-2-carboxylate is sourced from PubChem (CID 38866405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).