ethyl 3-[(3-ethoxy-3-oxopropyl)-propylamino]propanoate

C13H25NO4 — CID 11368942

IUPACethyl 3-[(3-ethoxy-3-oxopropyl)-propylamino]propanoate
SMILESCCCN(CCC(=O)OCC)CCC(=O)OCC
InChIInChI=1S/C13H25NO4/c1-4-9-14(10-7-12(15)17-5-2)11-8-13(16)18-6-3/h4-11H2,1-3H3
InChIKeyJDRNVMDHXGEKPR-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.60
Rot. Bonds10

About ethyl 3-[(3-ethoxy-3-oxopropyl)-propylamino]propanoate

ethyl 3-[(3-ethoxy-3-oxopropyl)-propylamino]propanoate (PubChem CID 11368942) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is ethyl 3-[(3-ethoxy-3-oxopropyl)-propylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(3-ethoxy-3-oxopropyl)-propylamino]propanoate
PubChem CID11368942
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Nameethyl 3-[(3-ethoxy-3-oxopropyl)-propylamino]propanoate
SMILESCCCN(CCC(=O)OCC)CCC(=O)OCC
InChIInChI=1S/C13H25NO4/c1-4-9-14(10-7-12(15)17-5-2)11-8-13(16)18-6-3/h4-11H2,1-3H3
InChIKeyJDRNVMDHXGEKPR-UHFFFAOYSA-N
XLogP1.60
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[2-[bis(3-ethoxy-3-oxopropyl)amino]ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate
CID 87322437
ethyl 3-[dodecyl-(3-ethoxy-3-oxopropyl)amino]propanoate
CID 11406516
ethyl 3-[2-ethoxyethyl-(3-ethoxy-3-oxopropyl)amino]propanoate
CID 151749760
ethyl 3-[(3-ethoxy-3-oxopropyl)-[2-(3-ethoxy-3-oxopropyl)sulfanylethyl]amino]propanoate
CID 154659479
3-[(3-ethoxy-3-oxopropyl)-hexylamino]propanoic acid
CID 140535457
butyl 3-[bis(3-butoxy-3-oxopropyl)amino]propanoate
CID 59204058
methyl 3-[2-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-propylamino]ethyl-methylamino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 90207709
ethyl 3-[2-(2-chloroethoxy)ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate
CID 134432792
ethyl 3-[(3-ethoxy-3-oxopropyl)-(3-trimethoxysilylpropyl)amino]propanoate
CID 170745110
ethyl (1,2-13C2)butanoate
CID 157463359
ethyl butanoate
CID 7762
ethyl 4-[methyl(propyl)amino]butanoate
CID 164991829

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3-ethoxy-3-oxopropyl)-propylamino]propanoate?
The IUPAC name of ethyl 3-[(3-ethoxy-3-oxopropyl)-propylamino]propanoate (CID 11368942) is ethyl 3-[(3-ethoxy-3-oxopropyl)-propylamino]propanoate.
What is the SMILES notation for ethyl 3-[(3-ethoxy-3-oxopropyl)-propylamino]propanoate?
The canonical SMILES for ethyl 3-[(3-ethoxy-3-oxopropyl)-propylamino]propanoate is CCCN(CCC(=O)OCC)CCC(=O)OCC.
What is the InChIKey of ethyl 3-[(3-ethoxy-3-oxopropyl)-propylamino]propanoate?
The InChIKey is JDRNVMDHXGEKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-4-9-14(10-7-12(15)17-5-2)11-8-13(16)18-6-3/h4-11H2,1-3H3.
What are the key properties of ethyl 3-[(3-ethoxy-3-oxopropyl)-propylamino]propanoate?
ethyl 3-[(3-ethoxy-3-oxopropyl)-propylamino]propanoate has a molecular weight of 259.35 g/mol, XLogP of 1.60, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3-ethoxy-3-oxopropyl)-propylamino]propanoate is sourced from PubChem (CID 11368942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).