2-(2-oxoimidazolidin-1-yl)ethyl 4-aminobenzoate

C12H15N3O3 — CID 61321753

IUPAC2-(2-oxoimidazolidin-1-yl)ethyl 4-aminobenzoate
SMILESNc1ccc(C(=O)OCCN2CCNC2=O)cc1
InChIInChI=1S/C12H15N3O3/c13-10-3-1-9(2-4-10)11(16)18-8-7-15-6-5-14-12(15)17/h1-4H,5-8,13H2,(H,14,17)
InChIKeyIVBPATDOOAYJAS-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.45
Rot. Bonds4

About 2-(2-oxoimidazolidin-1-yl)ethyl 4-aminobenzoate

2-(2-oxoimidazolidin-1-yl)ethyl 4-aminobenzoate (PubChem CID 61321753) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-(2-oxoimidazolidin-1-yl)ethyl 4-aminobenzoate.

Molecular Properties

Compound Name2-(2-oxoimidazolidin-1-yl)ethyl 4-aminobenzoate
PubChem CID61321753
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name2-(2-oxoimidazolidin-1-yl)ethyl 4-aminobenzoate
SMILESNc1ccc(C(=O)OCCN2CCNC2=O)cc1
InChIInChI=1S/C12H15N3O3/c13-10-3-1-9(2-4-10)11(16)18-8-7-15-6-5-14-12(15)17/h1-4H,5-8,13H2,(H,14,17)
InChIKeyIVBPATDOOAYJAS-UHFFFAOYSA-N
XLogP0.45
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-pyrrolidin-1-ylethyl 4-aminobenzoate
CID 10243125
2-(2-oxoimidazolidin-1-yl)ethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate
CID 66125006
ethyl 5-amino-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoate
CID 106955971
1-O-[2-(2-oxoimidazolidin-1-yl)ethyl] 4-O-[2-[2-[2-[(Z)-4-oxo-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]but-2-enoyl]oxyethoxy]ethoxy]ethyl] (Z)-but-2-enedioate
CID 164786158
2-(2-oxoimidazolidin-1-yl)ethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
CID 61317221
3-amino-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid
CID 107077632
12-(4-aminobenzoyl)oxydodecyl 4-aminobenzoate
CID 43836069
2-[2-[2-(4-aminobenzoyl)oxyethoxy]ethoxy]ethyl 4-aminobenzoate
CID 22467709
2-[(1R,5S)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]ethyl 4-aminobenzoate
CID 90474354
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazolidin-2-one
CID 130395908
2-[2-(4-aminobenzoyl)oxyethylsulfanyl]ethyl 4-aminobenzoate
CID 131860391
3,5-dimethyl-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid
CID 28932856

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxoimidazolidin-1-yl)ethyl 4-aminobenzoate?
The IUPAC name of 2-(2-oxoimidazolidin-1-yl)ethyl 4-aminobenzoate (CID 61321753) is 2-(2-oxoimidazolidin-1-yl)ethyl 4-aminobenzoate.
What is the SMILES notation for 2-(2-oxoimidazolidin-1-yl)ethyl 4-aminobenzoate?
The canonical SMILES for 2-(2-oxoimidazolidin-1-yl)ethyl 4-aminobenzoate is Nc1ccc(C(=O)OCCN2CCNC2=O)cc1.
What is the InChIKey of 2-(2-oxoimidazolidin-1-yl)ethyl 4-aminobenzoate?
The InChIKey is IVBPATDOOAYJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c13-10-3-1-9(2-4-10)11(16)18-8-7-15-6-5-14-12(15)17/h1-4H,5-8,13H2,(H,14,17).
What are the key properties of 2-(2-oxoimidazolidin-1-yl)ethyl 4-aminobenzoate?
2-(2-oxoimidazolidin-1-yl)ethyl 4-aminobenzoate has a molecular weight of 249.27 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxoimidazolidin-1-yl)ethyl 4-aminobenzoate is sourced from PubChem (CID 61321753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).