ethyl 2-[(2-ethoxy-2-oxoethyl)-pentanoylamino]acetate

C13H23NO5 — CID 54415895

IUPACethyl 2-[(2-ethoxy-2-oxoethyl)-pentanoylamino]acetate
SMILESCCCCC(=O)N(CC(=O)OCC)CC(=O)OCC
InChIInChI=1S/C13H23NO5/c1-4-7-8-11(15)14(9-12(16)18-5-2)10-13(17)19-6-3/h4-10H2,1-3H3
InChIKeyVXJIPEJRIFAZRZ-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.13
Rot. Bonds9

About ethyl 2-[(2-ethoxy-2-oxoethyl)-pentanoylamino]acetate

ethyl 2-[(2-ethoxy-2-oxoethyl)-pentanoylamino]acetate (PubChem CID 54415895) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is ethyl 2-[(2-ethoxy-2-oxoethyl)-pentanoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-ethoxy-2-oxoethyl)-pentanoylamino]acetate
PubChem CID54415895
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Nameethyl 2-[(2-ethoxy-2-oxoethyl)-pentanoylamino]acetate
SMILESCCCCC(=O)N(CC(=O)OCC)CC(=O)OCC
InChIInChI=1S/C13H23NO5/c1-4-7-8-11(15)14(9-12(16)18-5-2)10-13(17)19-6-3/h4-10H2,1-3H3
InChIKeyVXJIPEJRIFAZRZ-UHFFFAOYSA-N
XLogP1.13
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-ethoxy-2-oxoethyl)-pentanoylamino]acetate?
The IUPAC name of ethyl 2-[(2-ethoxy-2-oxoethyl)-pentanoylamino]acetate (CID 54415895) is ethyl 2-[(2-ethoxy-2-oxoethyl)-pentanoylamino]acetate.
What is the SMILES notation for ethyl 2-[(2-ethoxy-2-oxoethyl)-pentanoylamino]acetate?
The canonical SMILES for ethyl 2-[(2-ethoxy-2-oxoethyl)-pentanoylamino]acetate is CCCCC(=O)N(CC(=O)OCC)CC(=O)OCC.
What is the InChIKey of ethyl 2-[(2-ethoxy-2-oxoethyl)-pentanoylamino]acetate?
The InChIKey is VXJIPEJRIFAZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-4-7-8-11(15)14(9-12(16)18-5-2)10-13(17)19-6-3/h4-10H2,1-3H3.
What are the key properties of ethyl 2-[(2-ethoxy-2-oxoethyl)-pentanoylamino]acetate?
ethyl 2-[(2-ethoxy-2-oxoethyl)-pentanoylamino]acetate has a molecular weight of 273.33 g/mol, XLogP of 1.13, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-ethoxy-2-oxoethyl)-pentanoylamino]acetate is sourced from PubChem (CID 54415895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).