diethyl(methyl)azanium;pentanoate

C10H23NO2 — CID 87523267

IUPACdiethyl(methyl)azanium;pentanoate
SMILESCCCCC(=O)[O-].CC[NH+](C)CC
InChIInChI=1S/C5H13N.C5H10O2/c1-4-6(3)5-2;1-2-3-4-5(6)7/h4-5H2,1-3H3;2-4H2,1H3,(H,6,7)
InChIKeyKLOXGWBBAFZOGM-UHFFFAOYSA-N
MW189.30 g/mol
LogP-0.53
Rot. Bonds5

About diethyl(methyl)azanium;pentanoate

diethyl(methyl)azanium;pentanoate (PubChem CID 87523267) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is diethyl(methyl)azanium;pentanoate.

Molecular Properties

Compound Namediethyl(methyl)azanium;pentanoate
PubChem CID87523267
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Namediethyl(methyl)azanium;pentanoate
SMILESCCCCC(=O)[O-].CC[NH+](C)CC
InChIInChI=1S/C5H13N.C5H10O2/c1-4-6(3)5-2;1-2-3-4-5(6)7/h4-5H2,1-3H3;2-4H2,1H3,(H,6,7)
InChIKeyKLOXGWBBAFZOGM-UHFFFAOYSA-N
XLogP-0.53
TPSA44.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

azanium tris(pentanoate)
CID 21124108
barium(2+);bis(pentanoate)
CID 14619942
tris(pentanoate);rhodium(3+)
CID 51036063
iodanium pentanoate
CID 87769963
gold(3+);tris(pentanoate)
CID 157094863
gallium tris(pentanoate)
CID 173230335
ethyl-methyl-tetradecylazanium;octadecanoate
CID 134501498
methylazanium;pentanoate
CID 87904000
4-oxopentanoate;pentanoate
CID 21431295
5-[butyl(methyl)azaniumyl]pentanoate
CID 28972345
bis(octadecanoate);platinum(2+)
CID 87233709
CID 23623890
CID 23623890

Frequently Asked Questions

What is the IUPAC name of diethyl(methyl)azanium;pentanoate?
The IUPAC name of diethyl(methyl)azanium;pentanoate (CID 87523267) is diethyl(methyl)azanium;pentanoate.
What is the SMILES notation for diethyl(methyl)azanium;pentanoate?
The canonical SMILES for diethyl(methyl)azanium;pentanoate is CCCCC(=O)[O-].CC[NH+](C)CC.
What is the InChIKey of diethyl(methyl)azanium;pentanoate?
The InChIKey is KLOXGWBBAFZOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N.C5H10O2/c1-4-6(3)5-2;1-2-3-4-5(6)7/h4-5H2,1-3H3;2-4H2,1H3,(H,6,7).
What are the key properties of diethyl(methyl)azanium;pentanoate?
diethyl(methyl)azanium;pentanoate has a molecular weight of 189.30 g/mol, XLogP of -0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl(methyl)azanium;pentanoate is sourced from PubChem (CID 87523267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).