ethyl 5-[butyl(ethyl)amino]-4-oxopentanoate

C13H25NO3 — CID 103484099

IUPACethyl 5-[butyl(ethyl)amino]-4-oxopentanoate
SMILESCCCCN(CC)CC(=O)CCC(=O)OCC
InChIInChI=1S/C13H25NO3/c1-4-7-10-14(5-2)11-12(15)8-9-13(16)17-6-3/h4-11H2,1-3H3
InChIKeyVLVZKQWQQREAOD-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.02
Rot. Bonds10

About ethyl 5-[butyl(ethyl)amino]-4-oxopentanoate

ethyl 5-[butyl(ethyl)amino]-4-oxopentanoate (PubChem CID 103484099) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is ethyl 5-[butyl(ethyl)amino]-4-oxopentanoate.

Molecular Properties

Compound Nameethyl 5-[butyl(ethyl)amino]-4-oxopentanoate
PubChem CID103484099
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nameethyl 5-[butyl(ethyl)amino]-4-oxopentanoate
SMILESCCCCN(CC)CC(=O)CCC(=O)OCC
InChIInChI=1S/C13H25NO3/c1-4-7-10-14(5-2)11-12(15)8-9-13(16)17-6-3/h4-11H2,1-3H3
InChIKeyVLVZKQWQQREAOD-UHFFFAOYSA-N
XLogP2.02
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[ethyl(heptyl)amino]acetate
CID 55208036
ethyl 5-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-4-oxopentanoate
CID 103484403
ethyl 5-[ethyl(methyl)amino]-4-oxopentanoate
CID 103484137
ethyl 3-[dodecyl-(3-ethoxy-3-oxopropyl)amino]propanoate
CID 11406516
ethyl 3-[butyl(hydroxy)amino]propanoate
CID 89001545
ethyl 2-[ethyl(5-hydroxypentyl)amino]acetate
CID 55210801
ethyl 5-[ethyl(propan-2-yl)amino]-4-oxopentanoate
CID 103484141
ethyl 4-[3-(diethylamino)propylamino]-4-oxobutanoate
CID 60638277
1-[3-(dimethylamino)propyl-ethylamino]pentan-2-one
CID 102995101
ethyl 2-[ethyl(3-ethylsulfonylpropyl)amino]acetate
CID 65095633
3-[(3-ethoxy-3-oxopropyl)-hexylamino]propanoic acid
CID 140535457
2-[butyl(ethyl)amino]acetyl chloride
CID 39254442

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[butyl(ethyl)amino]-4-oxopentanoate?
The IUPAC name of ethyl 5-[butyl(ethyl)amino]-4-oxopentanoate (CID 103484099) is ethyl 5-[butyl(ethyl)amino]-4-oxopentanoate.
What is the SMILES notation for ethyl 5-[butyl(ethyl)amino]-4-oxopentanoate?
The canonical SMILES for ethyl 5-[butyl(ethyl)amino]-4-oxopentanoate is CCCCN(CC)CC(=O)CCC(=O)OCC.
What is the InChIKey of ethyl 5-[butyl(ethyl)amino]-4-oxopentanoate?
The InChIKey is VLVZKQWQQREAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-4-7-10-14(5-2)11-12(15)8-9-13(16)17-6-3/h4-11H2,1-3H3.
What are the key properties of ethyl 5-[butyl(ethyl)amino]-4-oxopentanoate?
ethyl 5-[butyl(ethyl)amino]-4-oxopentanoate has a molecular weight of 243.35 g/mol, XLogP of 2.02, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[butyl(ethyl)amino]-4-oxopentanoate is sourced from PubChem (CID 103484099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).