ethyl 2-[4-methoxypentanoyl(prop-2-enyl)amino]acetate

C13H23NO4 — CID 113374924

IUPACethyl 2-[4-methoxypentanoyl(prop-2-enyl)amino]acetate
SMILESC=CCN(CC(=O)OCC)C(=O)CCC(C)OC
InChIInChI=1S/C13H23NO4/c1-5-9-14(10-13(16)18-6-2)12(15)8-7-11(3)17-4/h5,11H,1,6-10H2,2-4H3
InChIKeyMENULTHXHXHDGO-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.38
Rot. Bonds9

About ethyl 2-[4-methoxypentanoyl(prop-2-enyl)amino]acetate

ethyl 2-[4-methoxypentanoyl(prop-2-enyl)amino]acetate (PubChem CID 113374924) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is ethyl 2-[4-methoxypentanoyl(prop-2-enyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[4-methoxypentanoyl(prop-2-enyl)amino]acetate
PubChem CID113374924
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Nameethyl 2-[4-methoxypentanoyl(prop-2-enyl)amino]acetate
SMILESC=CCN(CC(=O)OCC)C(=O)CCC(C)OC
InChIInChI=1S/C13H23NO4/c1-5-9-14(10-13(16)18-6-2)12(15)8-7-11(3)17-4/h5,11H,1,6-10H2,2-4H3
InChIKeyMENULTHXHXHDGO-UHFFFAOYSA-N
XLogP1.38
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.38
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-[3-methylsulfonylpropanoyl(prop-2-enyl)amino]acetate
CID 78978338
ethyl 2-[3-cyclopentylpropanoyl(prop-2-enyl)amino]acetate
CID 78978796
ethyl 2-[prop-2-enyl-[2-(propylsulfonylamino)propanoyl]amino]acetate
CID 115538843
ethyl 2-[2-cyclopropylpropanoyl(prop-2-enyl)amino]acetate
CID 79506559
ethyl 2-[ethyl(4-methylpentanoyl)amino]acetate
CID 61012376
ethyl 2-[prop-2-enyl(3-pyridin-4-ylpropanoyl)amino]acetate
CID 115538896
ethyl 2-[2,2-dimethoxyethyl(prop-2-enyl)amino]acetate
CID 115539187
ethyl 2-[but-2-ynoyl(prop-2-enyl)amino]acetate
CID 107262087
ethyl 2-[(2-cycloheptylacetyl)-prop-2-enylamino]acetate
CID 115681468
ethyl 2-[3-imidazol-1-ylpropanoyl(prop-2-enyl)amino]acetate
CID 78954883
ethyl 2-[[methyl(propan-2-yl)sulfamoyl]-prop-2-enylamino]acetate
CID 78977560
ethyl 2-[3-(3-bromophenyl)propanoyl-prop-2-enylamino]acetate
CID 79422617

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-methoxypentanoyl(prop-2-enyl)amino]acetate?
The IUPAC name of ethyl 2-[4-methoxypentanoyl(prop-2-enyl)amino]acetate (CID 113374924) is ethyl 2-[4-methoxypentanoyl(prop-2-enyl)amino]acetate.
What is the SMILES notation for ethyl 2-[4-methoxypentanoyl(prop-2-enyl)amino]acetate?
The canonical SMILES for ethyl 2-[4-methoxypentanoyl(prop-2-enyl)amino]acetate is C=CCN(CC(=O)OCC)C(=O)CCC(C)OC.
What is the InChIKey of ethyl 2-[4-methoxypentanoyl(prop-2-enyl)amino]acetate?
The InChIKey is MENULTHXHXHDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-5-9-14(10-13(16)18-6-2)12(15)8-7-11(3)17-4/h5,11H,1,6-10H2,2-4H3.
What are the key properties of ethyl 2-[4-methoxypentanoyl(prop-2-enyl)amino]acetate?
ethyl 2-[4-methoxypentanoyl(prop-2-enyl)amino]acetate has a molecular weight of 257.33 g/mol, XLogP of 1.38, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-methoxypentanoyl(prop-2-enyl)amino]acetate is sourced from PubChem (CID 113374924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).