(1-methoxy-1-oxopropan-2-yl)azanium chloride

C4H10ClNO2 — CID 10931506

IUPAC(1-methoxy-1-oxopropan-2-yl)azanium chloride
SMILESCOC(=O)C(C)[NH3+].[Cl-]
InChIInChI=1S/C4H9NO2.ClH/c1-3(5)4(6)7-2;/h3H,5H2,1-2H3;1H
InChIKeyIYUKFAFDFHZKPI-UHFFFAOYSA-N
MW139.58 g/mol
LogP-4.21
Rot. Bonds1

About (1-methoxy-1-oxopropan-2-yl)azanium chloride

(1-methoxy-1-oxopropan-2-yl)azanium chloride (PubChem CID 10931506) has the molecular formula C4H10ClNO2 and a molecular weight of 139.58 g/mol. Its IUPAC name is (1-methoxy-1-oxopropan-2-yl)azanium chloride.

Molecular Properties

Compound Name(1-methoxy-1-oxopropan-2-yl)azanium chloride
PubChem CID10931506
Molecular FormulaC4H10ClNO2
Molecular Weight139.58 g/mol
Exact Mass139.04
IUPAC Name(1-methoxy-1-oxopropan-2-yl)azanium chloride
SMILESCOC(=O)C(C)[NH3+].[Cl-]
InChIInChI=1S/C4H9NO2.ClH/c1-3(5)4(6)7-2;/h3H,5H2,1-2H3;1H
InChIKeyIYUKFAFDFHZKPI-UHFFFAOYSA-N
XLogP-4.21
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.58
LogP ≤ 5-4.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]azanium chloride
CID 11041097
[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]azanium
CID 2305646
methyl (2R)-2-hydroxypropanoate;methyl (2S)-2-hydroxypropanoate
CID 76960533
methyl 2-methylpropanoate;titanium
CID 174633551
methyl 2-aminopropanoate
CID 159707893
[(2R)-3-[[(2R)-2-azaniumyl-3-methoxy-3-oxopropyl]disulfanyl]-1-methoxy-1-oxopropan-2-yl]azanium dichloride
CID 11089122
methyl 2-amino-3-methylbutanoate chloride
CID 3083912
[(2R)-1-ethoxy-1-oxopropan-2-yl]azanium
CID 6932860
[(2S)-1-oxo-1-prop-2-enoxypropan-2-yl]azanium chloride
CID 10877479
[(2R)-3-methoxy-2-methyl-3-oxopropyl]azanium
CID 51704146
methyl 2-methoxypropanoate;hydrochloride
CID 174449160
methyl (2S)-2-hydroxypropanoate;hydrochloride
CID 88631623

Frequently Asked Questions

What is the IUPAC name of (1-methoxy-1-oxopropan-2-yl)azanium chloride?
The IUPAC name of (1-methoxy-1-oxopropan-2-yl)azanium chloride (CID 10931506) is (1-methoxy-1-oxopropan-2-yl)azanium chloride.
What is the SMILES notation for (1-methoxy-1-oxopropan-2-yl)azanium chloride?
The canonical SMILES for (1-methoxy-1-oxopropan-2-yl)azanium chloride is COC(=O)C(C)[NH3+].[Cl-].
What is the InChIKey of (1-methoxy-1-oxopropan-2-yl)azanium chloride?
The InChIKey is IYUKFAFDFHZKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2.ClH/c1-3(5)4(6)7-2;/h3H,5H2,1-2H3;1H.
What are the key properties of (1-methoxy-1-oxopropan-2-yl)azanium chloride?
(1-methoxy-1-oxopropan-2-yl)azanium chloride has a molecular weight of 139.58 g/mol, XLogP of -4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-1-oxopropan-2-yl)azanium chloride is sourced from PubChem (CID 10931506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).