ethyl 1-(carbamoylamino)-5-(2-methoxy-2-oxoethyl)-2-methyl-4-prop-2-enylpyrrole-3-carboxylate

C15H21N3O5 — CID 135008208

IUPACethyl 1-(carbamoylamino)-5-(2-methoxy-2-oxoethyl)-2-methyl-4-prop-2-enylpyrrole-3-carboxylate
SMILESC=CCc1c(C(=O)OCC)c(C)n(NC(N)=O)c1CC(=O)OC
InChIInChI=1S/C15H21N3O5/c1-5-7-10-11(8-12(19)22-4)18(17-15(16)21)9(3)13(10)14(20)23-6-2/h5H,1,6-8H2,2-4H3,(H3,16,17,21)
InChIKeySVMXXRUTDSZULW-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.04
Rot. Bonds7

About ethyl 1-(carbamoylamino)-5-(2-methoxy-2-oxoethyl)-2-methyl-4-prop-2-enylpyrrole-3-carboxylate

ethyl 1-(carbamoylamino)-5-(2-methoxy-2-oxoethyl)-2-methyl-4-prop-2-enylpyrrole-3-carboxylate (PubChem CID 135008208) has the molecular formula C15H21N3O5 and a molecular weight of 323.35 g/mol. Its IUPAC name is ethyl 1-(carbamoylamino)-5-(2-methoxy-2-oxoethyl)-2-methyl-4-prop-2-enylpyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(carbamoylamino)-5-(2-methoxy-2-oxoethyl)-2-methyl-4-prop-2-enylpyrrole-3-carboxylate
PubChem CID135008208
Molecular FormulaC15H21N3O5
Molecular Weight323.35 g/mol
Exact Mass323.15
IUPAC Nameethyl 1-(carbamoylamino)-5-(2-methoxy-2-oxoethyl)-2-methyl-4-prop-2-enylpyrrole-3-carboxylate
SMILESC=CCc1c(C(=O)OCC)c(C)n(NC(N)=O)c1CC(=O)OC
InChIInChI=1S/C15H21N3O5/c1-5-7-10-11(8-12(19)22-4)18(17-15(16)21)9(3)13(10)14(20)23-6-2/h5H,1,6-8H2,2-4H3,(H3,16,17,21)
InChIKeySVMXXRUTDSZULW-UHFFFAOYSA-N
XLogP1.04
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 1-(carbamoylamino)-5-(2-methoxy-2-oxoethyl)-2-methyl-4-prop-2-enylpyrrole-3-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(carbamoylamino)-5-(2-methoxy-2-oxoethyl)-2-methyl-4-prop-2-enylpyrrole-3-carboxylate?
The IUPAC name of ethyl 1-(carbamoylamino)-5-(2-methoxy-2-oxoethyl)-2-methyl-4-prop-2-enylpyrrole-3-carboxylate (CID 135008208) is ethyl 1-(carbamoylamino)-5-(2-methoxy-2-oxoethyl)-2-methyl-4-prop-2-enylpyrrole-3-carboxylate.
What is the SMILES notation for ethyl 1-(carbamoylamino)-5-(2-methoxy-2-oxoethyl)-2-methyl-4-prop-2-enylpyrrole-3-carboxylate?
The canonical SMILES for ethyl 1-(carbamoylamino)-5-(2-methoxy-2-oxoethyl)-2-methyl-4-prop-2-enylpyrrole-3-carboxylate is C=CCc1c(C(=O)OCC)c(C)n(NC(N)=O)c1CC(=O)OC.
What is the InChIKey of ethyl 1-(carbamoylamino)-5-(2-methoxy-2-oxoethyl)-2-methyl-4-prop-2-enylpyrrole-3-carboxylate?
The InChIKey is SVMXXRUTDSZULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5/c1-5-7-10-11(8-12(19)22-4)18(17-15(16)21)9(3)13(10)14(20)23-6-2/h5H,1,6-8H2,2-4H3,(H3,16,17,21).
What are the key properties of ethyl 1-(carbamoylamino)-5-(2-methoxy-2-oxoethyl)-2-methyl-4-prop-2-enylpyrrole-3-carboxylate?
ethyl 1-(carbamoylamino)-5-(2-methoxy-2-oxoethyl)-2-methyl-4-prop-2-enylpyrrole-3-carboxylate has a molecular weight of 323.35 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(carbamoylamino)-5-(2-methoxy-2-oxoethyl)-2-methyl-4-prop-2-enylpyrrole-3-carboxylate is sourced from PubChem (CID 135008208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).