ethyl 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-prop-2-enylamino]acetate

C12H21N3O4 — CID 78977780

IUPACethyl 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-prop-2-enylamino]acetate
SMILESC=CCN(CC(=O)NC(=O)NCC)CC(=O)OCC
InChIInChI=1S/C12H21N3O4/c1-4-7-15(9-11(17)19-6-3)8-10(16)14-12(18)13-5-2/h4H,1,5-9H2,2-3H3,(H2,13,14,16,18)
InChIKeyZRKNJMHYKKUZLY-UHFFFAOYSA-N
MW271.32 g/mol
LogP-0.12
Rot. Bonds8

About ethyl 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-prop-2-enylamino]acetate

ethyl 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-prop-2-enylamino]acetate (PubChem CID 78977780) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is ethyl 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-prop-2-enylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-prop-2-enylamino]acetate
PubChem CID78977780
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Nameethyl 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-prop-2-enylamino]acetate
SMILESC=CCN(CC(=O)NC(=O)NCC)CC(=O)OCC
InChIInChI=1S/C12H21N3O4/c1-4-7-15(9-11(17)19-6-3)8-10(16)14-12(18)13-5-2/h4H,1,5-9H2,2-3H3,(H2,13,14,16,18)
InChIKeyZRKNJMHYKKUZLY-UHFFFAOYSA-N
XLogP-0.12
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[methyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetate
CID 62012374
ethyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-prop-2-enylamino]acetate
CID 78977781
ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-prop-2-enylamino]acetate
CID 78979164
ethyl 2-[[2-(oxan-4-ylamino)-2-oxoethyl]-prop-2-enylamino]acetate
CID 78925035
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-[(2-oxo-2-pyrrolidin-1-ylethyl)-prop-2-enylamino]acetate
CID 78979118
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-[hexyl(prop-2-enyl)amino]acetate
CID 79002539
ethyl 2-[2,2-dimethoxyethyl(prop-2-enyl)amino]acetate
CID 115539187
ethyl 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-prop-2-enylamino]acetate
CID 78977684

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-prop-2-enylamino]acetate?
The IUPAC name of ethyl 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-prop-2-enylamino]acetate (CID 78977780) is ethyl 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-prop-2-enylamino]acetate.
What is the SMILES notation for ethyl 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-prop-2-enylamino]acetate?
The canonical SMILES for ethyl 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-prop-2-enylamino]acetate is C=CCN(CC(=O)NC(=O)NCC)CC(=O)OCC.
What is the InChIKey of ethyl 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-prop-2-enylamino]acetate?
The InChIKey is ZRKNJMHYKKUZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-4-7-15(9-11(17)19-6-3)8-10(16)14-12(18)13-5-2/h4H,1,5-9H2,2-3H3,(H2,13,14,16,18).
What are the key properties of ethyl 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-prop-2-enylamino]acetate?
ethyl 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-prop-2-enylamino]acetate has a molecular weight of 271.32 g/mol, XLogP of -0.12, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-prop-2-enylamino]acetate is sourced from PubChem (CID 78977780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).