azanium tris(pentanoate)

C15H31NO6-2 — CID 21124108

IUPACazanium tris(pentanoate)
SMILESCCCCC(=O)[O-].CCCCC(=O)[O-].CCCCC(=O)[O-].[NH4+]
InChIInChI=1S/3C5H10O2.H3N/c3*1-2-3-4-5(6)7;/h3*2-4H2,1H3,(H,6,7);1H3/p-2
InChIKeyBZYNJDMGNSUFOT-UHFFFAOYSA-L
MW321.41 g/mol
LogP0.16
Rot. Bonds9

About azanium tris(pentanoate)

azanium tris(pentanoate) (PubChem CID 21124108) has the molecular formula C15H31NO6-2 and a molecular weight of 321.41 g/mol. Its IUPAC name is azanium tris(pentanoate).

Molecular Properties

Compound Nameazanium tris(pentanoate)
PubChem CID21124108
Molecular FormulaC15H31NO6-2
Molecular Weight321.41 g/mol
Exact Mass321.22
IUPAC Nameazanium tris(pentanoate)
SMILESCCCCC(=O)[O-].CCCCC(=O)[O-].CCCCC(=O)[O-].[NH4+]
InChIInChI=1S/3C5H10O2.H3N/c3*1-2-3-4-5(6)7;/h3*2-4H2,1H3,(H,6,7);1H3/p-2
InChIKeyBZYNJDMGNSUFOT-UHFFFAOYSA-L
XLogP0.16
TPSA156.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

barium(2+);bis(pentanoate)
CID 14619942
tris(pentanoate);rhodium(3+)
CID 51036063
iodanium pentanoate
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gold(3+);tris(pentanoate)
CID 157094863
gallium tris(pentanoate)
CID 173230335
methylazanium;pentanoate
CID 87904000
diazanium bis(decanoate)
CID 141069575
octaazanium;octakis(decanoate)
CID 20849288
azanium;heptanoate;tetrahydrate
CID 172723496
bis(octadecanoate);platinum(2+)
CID 87233709
CID 23623890
CID 23623890
octadecanoate
CID 3033836

Frequently Asked Questions

What is the IUPAC name of azanium tris(pentanoate)?
The IUPAC name of azanium tris(pentanoate) (CID 21124108) is azanium tris(pentanoate).
What is the SMILES notation for azanium tris(pentanoate)?
The canonical SMILES for azanium tris(pentanoate) is CCCCC(=O)[O-].CCCCC(=O)[O-].CCCCC(=O)[O-].[NH4+].
What is the InChIKey of azanium tris(pentanoate)?
The InChIKey is BZYNJDMGNSUFOT-UHFFFAOYSA-L. The full InChI is InChI=1S/3C5H10O2.H3N/c3*1-2-3-4-5(6)7;/h3*2-4H2,1H3,(H,6,7);1H3/p-2.
What are the key properties of azanium tris(pentanoate)?
azanium tris(pentanoate) has a molecular weight of 321.41 g/mol, XLogP of 0.16, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azanium tris(pentanoate) is sourced from PubChem (CID 21124108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).