(4-methoxy-4-oxobutyl)azanium chloride

C5H12ClNO2 — CID 25623

IUPAC(4-methoxy-4-oxobutyl)azanium chloride
SMILESCOC(=O)CCC[NH3+].[Cl-]
InChIInChI=1S/C5H11NO2.ClH/c1-8-5(7)3-2-4-6;/h2-4,6H2,1H3;1H
InChIKeyWPGPRLVPWACBHW-UHFFFAOYSA-N
MW153.61 g/mol
LogP-3.81
Rot. Bonds3

About (4-methoxy-4-oxobutyl)azanium chloride

(4-methoxy-4-oxobutyl)azanium chloride (PubChem CID 25623) has the molecular formula C5H12ClNO2 and a molecular weight of 153.61 g/mol. Its IUPAC name is (4-methoxy-4-oxobutyl)azanium chloride.

Molecular Properties

Compound Name(4-methoxy-4-oxobutyl)azanium chloride
PubChem CID25623
Molecular FormulaC5H12ClNO2
Molecular Weight153.61 g/mol
Exact Mass153.06
IUPAC Name(4-methoxy-4-oxobutyl)azanium chloride
SMILESCOC(=O)CCC[NH3+].[Cl-]
InChIInChI=1S/C5H11NO2.ClH/c1-8-5(7)3-2-4-6;/h2-4,6H2,1H3;1H
InChIKeyWPGPRLVPWACBHW-UHFFFAOYSA-N
XLogP-3.81
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 5-3.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Ammoniobutanoate
CID 6992099
Methyl 4-aminobutanoate
CID 18614
gamma-Aminobutyrate
CID 5460232
gamma-Aminobutyric acid ethyl ester
CID 23365
4-Aminobutyrate ethyl hydrochloride
CID 12649661
Ethyl gamma-aminobutyrate hydrochloride
CID 23364
4-Aminobutyric acid methyl ester hydrochloride
CID 2756383
Propan-2-yl 4-aminobutanoate hydrochloride
CID 12381211
Methyl 4-(methylamino)butanoate hydrochloride
CID 21932544
Butyl 4-aminobutanoate
CID 14697327
Methyl 4-(methylamino)butanoate
CID 14769104
Methyl 4-aminopentanoate hydrochloride
CID 13276185

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-4-oxobutyl)azanium chloride?
The IUPAC name of (4-methoxy-4-oxobutyl)azanium chloride (CID 25623) is (4-methoxy-4-oxobutyl)azanium chloride.
What is the SMILES notation for (4-methoxy-4-oxobutyl)azanium chloride?
The canonical SMILES for (4-methoxy-4-oxobutyl)azanium chloride is COC(=O)CCC[NH3+].[Cl-].
What is the InChIKey of (4-methoxy-4-oxobutyl)azanium chloride?
The InChIKey is WPGPRLVPWACBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.ClH/c1-8-5(7)3-2-4-6;/h2-4,6H2,1H3;1H.
What are the key properties of (4-methoxy-4-oxobutyl)azanium chloride?
(4-methoxy-4-oxobutyl)azanium chloride has a molecular weight of 153.61 g/mol, XLogP of -3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-4-oxobutyl)azanium chloride is sourced from PubChem (CID 25623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).