ethyl 4-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoate

C14H15N3O5 — CID 2151851

IUPACethyl 4-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CN2C(=O)CNC2=O)cc1
InChIInChI=1S/C14H15N3O5/c1-2-22-13(20)9-3-5-10(6-4-9)16-11(18)8-17-12(19)7-15-14(17)21/h3-6H,2,7-8H2,1H3,(H,15,21)(H,16,18)
InChIKeyCAUAUJGCEYDJTJ-UHFFFAOYSA-N
MW305.29 g/mol
LogP0.35
Rot. Bonds5

About ethyl 4-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoate

ethyl 4-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoate (PubChem CID 2151851) has the molecular formula C14H15N3O5 and a molecular weight of 305.29 g/mol. Its IUPAC name is ethyl 4-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoate
PubChem CID2151851
Molecular FormulaC14H15N3O5
Molecular Weight305.29 g/mol
Exact Mass305.10
IUPAC Nameethyl 4-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CN2C(=O)CNC2=O)cc1
InChIInChI=1S/C14H15N3O5/c1-2-22-13(20)9-3-5-10(6-4-9)16-11(18)8-17-12(19)7-15-14(17)21/h3-6H,2,7-8H2,1H3,(H,15,21)(H,16,18)
InChIKeyCAUAUJGCEYDJTJ-UHFFFAOYSA-N
XLogP0.35
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoate (CID 2151851) is ethyl 4-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)CN2C(=O)CNC2=O)cc1.
What is the InChIKey of ethyl 4-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoate?
The InChIKey is CAUAUJGCEYDJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5/c1-2-22-13(20)9-3-5-10(6-4-9)16-11(18)8-17-12(19)7-15-14(17)21/h3-6H,2,7-8H2,1H3,(H,15,21)(H,16,18).
What are the key properties of ethyl 4-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoate?
ethyl 4-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoate has a molecular weight of 305.29 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoate is sourced from PubChem (CID 2151851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).