ethyl 2-[2,2-dimethoxyethyl(prop-2-enyl)amino]acetate

C11H21NO4 — CID 115539187

IUPACethyl 2-[2,2-dimethoxyethyl(prop-2-enyl)amino]acetate
SMILESC=CCN(CC(=O)OCC)CC(OC)OC
InChIInChI=1S/C11H21NO4/c1-5-7-12(8-10(13)16-6-2)9-11(14-3)15-4/h5,11H,1,6-9H2,2-4H3
InChIKeyGEIZNTISWLOLHT-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.66
Rot. Bonds9

About ethyl 2-[2,2-dimethoxyethyl(prop-2-enyl)amino]acetate

ethyl 2-[2,2-dimethoxyethyl(prop-2-enyl)amino]acetate (PubChem CID 115539187) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is ethyl 2-[2,2-dimethoxyethyl(prop-2-enyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[2,2-dimethoxyethyl(prop-2-enyl)amino]acetate
PubChem CID115539187
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Nameethyl 2-[2,2-dimethoxyethyl(prop-2-enyl)amino]acetate
SMILESC=CCN(CC(=O)OCC)CC(OC)OC
InChIInChI=1S/C11H21NO4/c1-5-7-12(8-10(13)16-6-2)9-11(14-3)15-4/h5,11H,1,6-9H2,2-4H3
InChIKeyGEIZNTISWLOLHT-UHFFFAOYSA-N
XLogP0.66
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]-2-methylpropanoic acid
CID 106484521
ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-prop-2-enylamino]acetate
CID 78979164
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
ethyl 2-[3,3-dimethylbutyl(prop-2-enyl)amino]acetate
CID 78957213
ethyl 2-[hexyl(prop-2-enyl)amino]acetate
CID 79002539
ethyl 2-[2-(2-methylpropoxy)ethyl-prop-2-enylamino]acetate
CID 106456146
ethyl 2-[(2-oxo-2-pyrrolidin-1-ylethyl)-prop-2-enylamino]acetate
CID 78979118
ethyl 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-prop-2-enylamino]acetate
CID 78977780
ethyl 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-prop-2-enylamino]acetate
CID 79047847
ethyl 2-[4-methoxypentanoyl(prop-2-enyl)amino]acetate
CID 113374924
ethyl 2-[2-imidazol-1-ylethyl(prop-2-enyl)amino]acetate
CID 115539077

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2,2-dimethoxyethyl(prop-2-enyl)amino]acetate?
The IUPAC name of ethyl 2-[2,2-dimethoxyethyl(prop-2-enyl)amino]acetate (CID 115539187) is ethyl 2-[2,2-dimethoxyethyl(prop-2-enyl)amino]acetate.
What is the SMILES notation for ethyl 2-[2,2-dimethoxyethyl(prop-2-enyl)amino]acetate?
The canonical SMILES for ethyl 2-[2,2-dimethoxyethyl(prop-2-enyl)amino]acetate is C=CCN(CC(=O)OCC)CC(OC)OC.
What is the InChIKey of ethyl 2-[2,2-dimethoxyethyl(prop-2-enyl)amino]acetate?
The InChIKey is GEIZNTISWLOLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-5-7-12(8-10(13)16-6-2)9-11(14-3)15-4/h5,11H,1,6-9H2,2-4H3.
What are the key properties of ethyl 2-[2,2-dimethoxyethyl(prop-2-enyl)amino]acetate?
ethyl 2-[2,2-dimethoxyethyl(prop-2-enyl)amino]acetate has a molecular weight of 231.29 g/mol, XLogP of 0.66, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2,2-dimethoxyethyl(prop-2-enyl)amino]acetate is sourced from PubChem (CID 115539187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).