ethyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]-4-oxobutanoate

C13H23NO5 — CID 54898818

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

About ethyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]-4-oxobutanoate

ethyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]-4-oxobutanoate (PubChem CID 54898818) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is ethyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]-4-oxobutanoate
PubChem CID54898818
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Nameethyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]-4-oxobutanoate
SMILESCCCN(CC(=O)OCC)C(=O)CCC(=O)OCC
InChIInChI=1S/C13H23NO5/c1-4-9-14(10-13(17)19-6-3)11(15)7-8-12(16)18-5-2/h4-10H2,1-3H3
InChIKeyOFQZBTCWUHXAGT-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 4-[(2-ethoxy-2-oxoethyl)-propylamino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]-4-oxobutanoate (CID 54898818) is ethyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]-4-oxobutanoate is CCCN(CC(=O)OCC)C(=O)CCC(=O)OCC.
What is the InChIKey of ethyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]-4-oxobutanoate?
The InChIKey is OFQZBTCWUHXAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-4-9-14(10-13(17)19-6-3)11(15)7-8-12(16)18-5-2/h4-10H2,1-3H3.
What are the key properties of ethyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]-4-oxobutanoate?
ethyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]-4-oxobutanoate 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 4-[(2-ethoxy-2-oxoethyl)-propylamino]-4-oxobutanoate is sourced from PubChem (CID 54898818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).