ethyl 2-[2-(2-oxoimidazolidin-1-yl)ethyl-prop-2-enylamino]acetate

C12H21N3O3 — CID 113331381

IUPACethyl 2-[2-(2-oxoimidazolidin-1-yl)ethyl-prop-2-enylamino]acetate
SMILESC=CCN(CCN1CCNC1=O)CC(=O)OCC
InChIInChI=1S/C12H21N3O3/c1-3-6-14(10-11(16)18-4-2)8-9-15-7-5-13-12(15)17/h3H,1,4-10H2,2H3,(H,13,17)
InChIKeyOQQZGRWLMDWVJM-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.06
Rot. Bonds8

About ethyl 2-[2-(2-oxoimidazolidin-1-yl)ethyl-prop-2-enylamino]acetate

ethyl 2-[2-(2-oxoimidazolidin-1-yl)ethyl-prop-2-enylamino]acetate (PubChem CID 113331381) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is ethyl 2-[2-(2-oxoimidazolidin-1-yl)ethyl-prop-2-enylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2-oxoimidazolidin-1-yl)ethyl-prop-2-enylamino]acetate
PubChem CID113331381
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Nameethyl 2-[2-(2-oxoimidazolidin-1-yl)ethyl-prop-2-enylamino]acetate
SMILESC=CCN(CCN1CCNC1=O)CC(=O)OCC
InChIInChI=1S/C12H21N3O3/c1-3-6-14(10-11(16)18-4-2)8-9-15-7-5-13-12(15)17/h3H,1,4-10H2,2H3,(H,13,17)
InChIKeyOQQZGRWLMDWVJM-UHFFFAOYSA-N
XLogP0.06
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-(3,3-diallylureido)acetate
CID 311543
2-(2-oxoimidazolidin-1-yl)ethyl N-prop-2-enylcarbamate
CID 69926474
Ethyl 2-[[2-(prop-2-enylamino)acetyl]amino]acetate
CID 79284929
1-Methyl-3-prop-2-enylimidazolidin-3-ium-2-carboxylate
CID 140301870
5-Methoxy-1-prop-2-enylimidazolidin-2-one
CID 141009704
Ethyl 2-[methyl(prop-2-enylcarbamoyl)amino]acetate
CID 10104245
Ethyl 2-[[methyl(prop-2-enyl)carbamoyl]amino]acetate
CID 14320715
Ethyl 2-[(prop-2-enylamino)carbonylamino]acetate
CID 14320717
Ethyl 2-(2-pyrrolidin-1-ylethylcarbamoylamino)acetate
CID 60656231
Methyl 2-[methyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetate
CID 60660510
Ethyl 2-[2-(2-oxoimidazolidin-1-yl)ethylamino]acetate
CID 60812530
Methyl 2-[[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]-propylamino]acetate
CID 61035160

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-oxoimidazolidin-1-yl)ethyl-prop-2-enylamino]acetate?
The IUPAC name of ethyl 2-[2-(2-oxoimidazolidin-1-yl)ethyl-prop-2-enylamino]acetate (CID 113331381) is ethyl 2-[2-(2-oxoimidazolidin-1-yl)ethyl-prop-2-enylamino]acetate.
What is the SMILES notation for ethyl 2-[2-(2-oxoimidazolidin-1-yl)ethyl-prop-2-enylamino]acetate?
The canonical SMILES for ethyl 2-[2-(2-oxoimidazolidin-1-yl)ethyl-prop-2-enylamino]acetate is C=CCN(CCN1CCNC1=O)CC(=O)OCC.
What is the InChIKey of ethyl 2-[2-(2-oxoimidazolidin-1-yl)ethyl-prop-2-enylamino]acetate?
The InChIKey is OQQZGRWLMDWVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-3-6-14(10-11(16)18-4-2)8-9-15-7-5-13-12(15)17/h3H,1,4-10H2,2H3,(H,13,17).
What are the key properties of ethyl 2-[2-(2-oxoimidazolidin-1-yl)ethyl-prop-2-enylamino]acetate?
ethyl 2-[2-(2-oxoimidazolidin-1-yl)ethyl-prop-2-enylamino]acetate has a molecular weight of 255.32 g/mol, XLogP of 0.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-oxoimidazolidin-1-yl)ethyl-prop-2-enylamino]acetate is sourced from PubChem (CID 113331381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).