methylazanium;pentanoate

C6H15NO2 — CID 87904000

IUPACmethylazanium;pentanoate
SMILESCCCCC(=O)[O-].C[NH3+]
InChIInChI=1S/C5H10O2.CH5N/c1-2-3-4-5(6)7;1-2/h2-4H2,1H3,(H,6,7);2H2,1H3
InChIKeyBCIONRHKNKQXEY-UHFFFAOYSA-N
MW133.19 g/mol
LogP-1.22
Rot. Bonds3

About methylazanium;pentanoate

methylazanium;pentanoate (PubChem CID 87904000) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is methylazanium;pentanoate.

Molecular Properties

Compound Namemethylazanium;pentanoate
PubChem CID87904000
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Namemethylazanium;pentanoate
SMILESCCCCC(=O)[O-].C[NH3+]
InChIInChI=1S/C5H10O2.CH5N/c1-2-3-4-5(6)7;1-2/h2-4H2,1H3,(H,6,7);2H2,1H3
InChIKeyBCIONRHKNKQXEY-UHFFFAOYSA-N
XLogP-1.22
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 5-1.22
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
bis(octadecanoate);platinum(2+)
CID 87233709
CID 23623890
CID 23623890
octadecanoate
CID 3033836
4-oxopentanoate;pentanoate
CID 21431295
aminoazanium;octadecanoate
CID 161398696
aminoazanium;decanoate
CID 158292126

Frequently Asked Questions

What is the IUPAC name of methylazanium;pentanoate?
The IUPAC name of methylazanium;pentanoate (CID 87904000) is methylazanium;pentanoate.
What is the SMILES notation for methylazanium;pentanoate?
The canonical SMILES for methylazanium;pentanoate is CCCCC(=O)[O-].C[NH3+].
What is the InChIKey of methylazanium;pentanoate?
The InChIKey is BCIONRHKNKQXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.CH5N/c1-2-3-4-5(6)7;1-2/h2-4H2,1H3,(H,6,7);2H2,1H3.
What are the key properties of methylazanium;pentanoate?
methylazanium;pentanoate has a molecular weight of 133.19 g/mol, XLogP of -1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylazanium;pentanoate is sourced from PubChem (CID 87904000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).