methyl-[1-[2-(methylazaniumyl)propanoyloxymethoxy]-1-oxopropan-2-yl]azanium

C9H20N2O4+2 — CID 59032041

IUPACmethyl-[1-[2-(methylazaniumyl)propanoyloxymethoxy]-1-oxopropan-2-yl]azanium
SMILESC[NH2+]C(C)C(=O)OCOC(=O)C(C)[NH2+]C
InChIInChI=1S/C9H18N2O4/c1-6(10-3)8(12)14-5-15-9(13)7(2)11-4/h6-7,10-11H,5H2,1-4H3/p+2
InChIKeyFPYUPZDHTFCIFR-UHFFFAOYSA-P
MW220.27 g/mol
LogP-2.81
Rot. Bonds6

About methyl-[1-[2-(methylazaniumyl)propanoyloxymethoxy]-1-oxopropan-2-yl]azanium

methyl-[1-[2-(methylazaniumyl)propanoyloxymethoxy]-1-oxopropan-2-yl]azanium (PubChem CID 59032041) has the molecular formula C9H20N2O4+2 and a molecular weight of 220.27 g/mol. Its IUPAC name is methyl-[1-[2-(methylazaniumyl)propanoyloxymethoxy]-1-oxopropan-2-yl]azanium.

Molecular Properties

Compound Namemethyl-[1-[2-(methylazaniumyl)propanoyloxymethoxy]-1-oxopropan-2-yl]azanium
PubChem CID59032041
Molecular FormulaC9H20N2O4+2
Molecular Weight220.27 g/mol
Exact Mass220.14
IUPAC Namemethyl-[1-[2-(methylazaniumyl)propanoyloxymethoxy]-1-oxopropan-2-yl]azanium
SMILESC[NH2+]C(C)C(=O)OCOC(=O)C(C)[NH2+]C
InChIInChI=1S/C9H18N2O4/c1-6(10-3)8(12)14-5-15-9(13)7(2)11-4/h6-7,10-11H,5H2,1-4H3/p+2
InChIKeyFPYUPZDHTFCIFR-UHFFFAOYSA-P
XLogP-2.81
TPSA85.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 5-2.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-methylbutanoyloxymethyl 2-methylbutanoate
CID 20789926
2-bromopropanoyloxymethyl 2-bromopropanoate
CID 146451354
[(2S)-2-aminopropanoyl]oxymethyl 2-methylpropanoate
CID 155408739
ethoxymethyl 2-hydroxypropanoate
CID 87466299
2-methylpropanoyloxymethyl 2-amino-3-methylbutanoate
CID 156731483
1-O-ethyl 4-O-(2-methylpropanoyloxymethyl) (E)-but-2-enedioate
CID 46179455
(2S)-2-amino-3-methylpentanamide
CID 10290817
diethylamino 2-amino-2-oxoacetate
CID 123923586
(3S)-2-amino-3-methylpentanamide;sulfane
CID 159517895
2-methylpropanoyloxymethoxyphosphanyloxymethyl 2-methylpropanoate
CID 141382617
(2R,4R)-5-(2,2-dimethylpropanoyloxymethoxy)-2,4-dimethyl-5-oxopentanoic acid
CID 54163012
propanoyloxymethyl 2-amino-3-iodopropanoate
CID 90398455

Frequently Asked Questions

What is the IUPAC name of methyl-[1-[2-(methylazaniumyl)propanoyloxymethoxy]-1-oxopropan-2-yl]azanium?
The IUPAC name of methyl-[1-[2-(methylazaniumyl)propanoyloxymethoxy]-1-oxopropan-2-yl]azanium (CID 59032041) is methyl-[1-[2-(methylazaniumyl)propanoyloxymethoxy]-1-oxopropan-2-yl]azanium.
What is the SMILES notation for methyl-[1-[2-(methylazaniumyl)propanoyloxymethoxy]-1-oxopropan-2-yl]azanium?
The canonical SMILES for methyl-[1-[2-(methylazaniumyl)propanoyloxymethoxy]-1-oxopropan-2-yl]azanium is C[NH2+]C(C)C(=O)OCOC(=O)C(C)[NH2+]C.
What is the InChIKey of methyl-[1-[2-(methylazaniumyl)propanoyloxymethoxy]-1-oxopropan-2-yl]azanium?
The InChIKey is FPYUPZDHTFCIFR-UHFFFAOYSA-P. The full InChI is InChI=1S/C9H18N2O4/c1-6(10-3)8(12)14-5-15-9(13)7(2)11-4/h6-7,10-11H,5H2,1-4H3/p+2.
What are the key properties of methyl-[1-[2-(methylazaniumyl)propanoyloxymethoxy]-1-oxopropan-2-yl]azanium?
methyl-[1-[2-(methylazaniumyl)propanoyloxymethoxy]-1-oxopropan-2-yl]azanium has a molecular weight of 220.27 g/mol, XLogP of -2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[1-[2-(methylazaniumyl)propanoyloxymethoxy]-1-oxopropan-2-yl]azanium is sourced from PubChem (CID 59032041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).