4-(diethylazaniumyl)butanoate

C8H17NO2 — CID 38988212

IUPAC4-(diethylazaniumyl)butanoate
SMILESCC[NH+](CC)CCCC(=O)[O-]
InChIInChI=1S/C8H17NO2/c1-3-9(4-2)7-5-6-8(10)11/h3-7H2,1-2H3,(H,10,11)
InChIKeyXUDAWBWSOYRMRW-UHFFFAOYSA-N
MW159.23 g/mol
LogP-1.56
Rot. Bonds6

About 4-(diethylazaniumyl)butanoate

4-(diethylazaniumyl)butanoate (PubChem CID 38988212) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 4-(diethylazaniumyl)butanoate.

Molecular Properties

Compound Name4-(diethylazaniumyl)butanoate
PubChem CID38988212
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name4-(diethylazaniumyl)butanoate
SMILESCC[NH+](CC)CCCC(=O)[O-]
InChIInChI=1S/C8H17NO2/c1-3-9(4-2)7-5-6-8(10)11/h3-7H2,1-2H3,(H,10,11)
InChIKeyXUDAWBWSOYRMRW-UHFFFAOYSA-N
XLogP-1.56
TPSA44.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-1.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[butyl(ethyl)azaniumyl]butanoate
CID 42233866
5-(dibutylazaniumyl)pentanoate
CID 28983390
4-[2-(diethylazaniumyl)ethylsulfamoyl]butanoate
CID 28773612
dodecanoate;tripropylazanium
CID 139301601
diethyl(methyl)azanium;pentanoate
CID 87523267
7-[bis(carboxylatomethyl)azaniumyl]heptanoate
CID 7367261
gallium tris(pentanoate)
CID 173230335
tris(pentanoate);rhodium(3+)
CID 51036063
barium(2+);bis(pentanoate)
CID 14619942
gold(3+);tris(pentanoate)
CID 157094863
azanium tris(pentanoate)
CID 21124108
iodanium pentanoate
CID 87769963

Frequently Asked Questions

What is the IUPAC name of 4-(diethylazaniumyl)butanoate?
The IUPAC name of 4-(diethylazaniumyl)butanoate (CID 38988212) is 4-(diethylazaniumyl)butanoate.
What is the SMILES notation for 4-(diethylazaniumyl)butanoate?
The canonical SMILES for 4-(diethylazaniumyl)butanoate is CC[NH+](CC)CCCC(=O)[O-].
What is the InChIKey of 4-(diethylazaniumyl)butanoate?
The InChIKey is XUDAWBWSOYRMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-3-9(4-2)7-5-6-8(10)11/h3-7H2,1-2H3,(H,10,11).
What are the key properties of 4-(diethylazaniumyl)butanoate?
4-(diethylazaniumyl)butanoate has a molecular weight of 159.23 g/mol, XLogP of -1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylazaniumyl)butanoate is sourced from PubChem (CID 38988212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).