ethyl 2-[(2-oxo-2-pyrrolidin-1-ylethyl)-prop-2-enylamino]acetate

C13H22N2O3 — CID 78979118

IUPACethyl 2-[(2-oxo-2-pyrrolidin-1-ylethyl)-prop-2-enylamino]acetate
SMILESC=CCN(CC(=O)OCC)CC(=O)N1CCCC1
InChIInChI=1S/C13H22N2O3/c1-3-7-14(11-13(17)18-4-2)10-12(16)15-8-5-6-9-15/h3H,1,4-11H2,2H3
InChIKeyIMAQNXAXEZKTEV-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.66
Rot. Bonds7

About ethyl 2-[(2-oxo-2-pyrrolidin-1-ylethyl)-prop-2-enylamino]acetate

ethyl 2-[(2-oxo-2-pyrrolidin-1-ylethyl)-prop-2-enylamino]acetate (PubChem CID 78979118) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is ethyl 2-[(2-oxo-2-pyrrolidin-1-ylethyl)-prop-2-enylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-oxo-2-pyrrolidin-1-ylethyl)-prop-2-enylamino]acetate
PubChem CID78979118
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Nameethyl 2-[(2-oxo-2-pyrrolidin-1-ylethyl)-prop-2-enylamino]acetate
SMILESC=CCN(CC(=O)OCC)CC(=O)N1CCCC1
InChIInChI=1S/C13H22N2O3/c1-3-7-14(11-13(17)18-4-2)10-12(16)15-8-5-6-9-15/h3H,1,4-11H2,2H3
InChIKeyIMAQNXAXEZKTEV-UHFFFAOYSA-N
XLogP0.66
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-prop-2-enylamino]acetate
CID 78978558
ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-prop-2-enylamino]acetate
CID 78979164
3-[[2-(azepan-1-yl)-2-oxoethyl]-prop-2-enylamino]propanoic acid
CID 82327043
ethyl 2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]acetate
CID 78977809
ethyl 4-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]butanoate
CID 54302600
methyl 2-[[2-(azepan-1-yl)-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 62955381
3-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]-2-methylpropanoic acid
CID 106484521
ethyl 2-[3,3-dimethylbutyl(prop-2-enyl)amino]acetate
CID 78957213
ethyl 2-[2,2-dimethoxyethyl(prop-2-enyl)amino]acetate
CID 115539187
ethyl 2-[[2-(azepan-1-yl)-2-oxoethyl]-propan-2-ylamino]acetate
CID 61224895
ethyl 2-[hexyl(prop-2-enyl)amino]acetate
CID 79002539
ethyl 2-[2-(2-oxoimidazolidin-1-yl)ethyl-prop-2-enylamino]acetate
CID 113331381

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-oxo-2-pyrrolidin-1-ylethyl)-prop-2-enylamino]acetate?
The IUPAC name of ethyl 2-[(2-oxo-2-pyrrolidin-1-ylethyl)-prop-2-enylamino]acetate (CID 78979118) is ethyl 2-[(2-oxo-2-pyrrolidin-1-ylethyl)-prop-2-enylamino]acetate.
What is the SMILES notation for ethyl 2-[(2-oxo-2-pyrrolidin-1-ylethyl)-prop-2-enylamino]acetate?
The canonical SMILES for ethyl 2-[(2-oxo-2-pyrrolidin-1-ylethyl)-prop-2-enylamino]acetate is C=CCN(CC(=O)OCC)CC(=O)N1CCCC1.
What is the InChIKey of ethyl 2-[(2-oxo-2-pyrrolidin-1-ylethyl)-prop-2-enylamino]acetate?
The InChIKey is IMAQNXAXEZKTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-3-7-14(11-13(17)18-4-2)10-12(16)15-8-5-6-9-15/h3H,1,4-11H2,2H3.
What are the key properties of ethyl 2-[(2-oxo-2-pyrrolidin-1-ylethyl)-prop-2-enylamino]acetate?
ethyl 2-[(2-oxo-2-pyrrolidin-1-ylethyl)-prop-2-enylamino]acetate has a molecular weight of 254.33 g/mol, XLogP of 0.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-oxo-2-pyrrolidin-1-ylethyl)-prop-2-enylamino]acetate is sourced from PubChem (CID 78979118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).