(4-ethoxy-4-oxobutyl)azanium

C6H14NO2+ — CID 6993906

IUPAC(4-ethoxy-4-oxobutyl)azanium
SMILESCCOC(=O)CCC[NH3+]
InChIInChI=1S/C6H13NO2/c1-2-9-6(8)4-3-5-7/h2-5,7H2,1H3/p+1
InChIKeyMAFQLJCYFMKEJJ-UHFFFAOYSA-O
MW132.18 g/mol
LogP-0.43
Rot. Bonds4

About (4-ethoxy-4-oxobutyl)azanium

(4-ethoxy-4-oxobutyl)azanium (PubChem CID 6993906) has the molecular formula C6H14NO2+ and a molecular weight of 132.18 g/mol. Its IUPAC name is (4-ethoxy-4-oxobutyl)azanium.

Molecular Properties

Compound Name(4-ethoxy-4-oxobutyl)azanium
PubChem CID6993906
Molecular FormulaC6H14NO2+
Molecular Weight132.18 g/mol
Exact Mass132.10
IUPAC Name(4-ethoxy-4-oxobutyl)azanium
SMILESCCOC(=O)CCC[NH3+]
InChIInChI=1S/C6H13NO2/c1-2-9-6(8)4-3-5-7/h2-5,7H2,1H3/p+1
InChIKeyMAFQLJCYFMKEJJ-UHFFFAOYSA-O
XLogP-0.43
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-4-oxobutyl)azanium?
The IUPAC name of (4-ethoxy-4-oxobutyl)azanium (CID 6993906) is (4-ethoxy-4-oxobutyl)azanium.
What is the SMILES notation for (4-ethoxy-4-oxobutyl)azanium?
The canonical SMILES for (4-ethoxy-4-oxobutyl)azanium is CCOC(=O)CCC[NH3+].
What is the InChIKey of (4-ethoxy-4-oxobutyl)azanium?
The InChIKey is MAFQLJCYFMKEJJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H13NO2/c1-2-9-6(8)4-3-5-7/h2-5,7H2,1H3/p+1.
What are the key properties of (4-ethoxy-4-oxobutyl)azanium?
(4-ethoxy-4-oxobutyl)azanium has a molecular weight of 132.18 g/mol, XLogP of -0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-4-oxobutyl)azanium is sourced from PubChem (CID 6993906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).