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

C12H22N2O3 — CID 115539173

IUPACethyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]-prop-2-enylamino]acetate
SMILESC=CCN(CC(=O)OCC)C(C)C(=O)N(C)C
InChIInChI=1S/C12H22N2O3/c1-6-8-14(9-11(15)17-7-2)10(3)12(16)13(4)5/h6,10H,1,7-9H2,2-5H3
InChIKeyAKNVICVQLNLEBW-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.51
Rot. Bonds7

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

ethyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]-prop-2-enylamino]acetate (PubChem CID 115539173) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is ethyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]-prop-2-enylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]-prop-2-enylamino]acetate
PubChem CID115539173
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nameethyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]-prop-2-enylamino]acetate
SMILESC=CCN(CC(=O)OCC)C(C)C(=O)N(C)C
InChIInChI=1S/C12H22N2O3/c1-6-8-14(9-11(15)17-7-2)10(3)12(16)13(4)5/h6,10H,1,7-9H2,2-5H3
InChIKeyAKNVICVQLNLEBW-UHFFFAOYSA-N
XLogP0.51
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]-prop-2-enylamino]acetate?
The IUPAC name of ethyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]-prop-2-enylamino]acetate (CID 115539173) is ethyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]-prop-2-enylamino]acetate.
What is the SMILES notation for ethyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]-prop-2-enylamino]acetate?
The canonical SMILES for ethyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]-prop-2-enylamino]acetate is C=CCN(CC(=O)OCC)C(C)C(=O)N(C)C.
What is the InChIKey of ethyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]-prop-2-enylamino]acetate?
The InChIKey is AKNVICVQLNLEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-6-8-14(9-11(15)17-7-2)10(3)12(16)13(4)5/h6,10H,1,7-9H2,2-5H3.
What are the key properties of ethyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]-prop-2-enylamino]acetate?
ethyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]-prop-2-enylamino]acetate has a molecular weight of 242.32 g/mol, XLogP of 0.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]-prop-2-enylamino]acetate is sourced from PubChem (CID 115539173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).