2-acetyloxyethyl(trimethyl)azanium;2-hydroxypropanoic acid

C10H22NO5+ — CID 158766752

IUPAC2-acetyloxyethyl(trimethyl)azanium;2-hydroxypropanoic acid
SMILESCC(=O)OCC[N+](C)(C)C.CC(O)C(=O)O
InChIInChI=1S/C7H16NO2.C3H6O3/c1-7(9)10-6-5-8(2,3)4;1-2(4)3(5)6/h5-6H2,1-4H3;2,4H,1H3,(H,5,6)/q+1;
InChIKeyIPIXADMSGWHOMI-UHFFFAOYSA-N
MW236.29 g/mol
LogP-0.29
Rot. Bonds4

About 2-acetyloxyethyl(trimethyl)azanium;2-hydroxypropanoic acid

2-acetyloxyethyl(trimethyl)azanium;2-hydroxypropanoic acid (PubChem CID 158766752) has the molecular formula C10H22NO5+ and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-acetyloxyethyl(trimethyl)azanium;2-hydroxypropanoic acid.

Molecular Properties

Compound Name2-acetyloxyethyl(trimethyl)azanium;2-hydroxypropanoic acid
PubChem CID158766752
Molecular FormulaC10H22NO5+
Molecular Weight236.29 g/mol
Exact Mass236.15
IUPAC Name2-acetyloxyethyl(trimethyl)azanium;2-hydroxypropanoic acid
SMILESCC(=O)OCC[N+](C)(C)C.CC(O)C(=O)O
InChIInChI=1S/C7H16NO2.C3H6O3/c1-7(9)10-6-5-8(2,3)4;1-2(4)3(5)6/h5-6H2,1-4H3;2,4H,1H3,(H,5,6)/q+1;
InChIKeyIPIXADMSGWHOMI-UHFFFAOYSA-N
XLogP-0.29
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-acetyloxyethyl(trimethyl)azanium bromide
CID 547020
2-acetyloxyethyl(trimethyl)azanium;phosphane
CID 172811747
calcium;2-acetyloxyethyl(trimethyl)azanium;hydride
CID 174840890
CID 158732412
CID 158732412
CID 174726495
CID 174726495
2-acetyloxyethyl(trimethyl)azanium;hydrogen sulfate
CID 71365429
2-(3-carboxy-2,3-dihydroxypropanoyl)oxyethyl-trimethylazanium
CID 175886232
2-(2-acetyloxypropanoyloxy)ethyl-trimethylazanium
CID 2009
trimethyl-[2-(2-methylpropanoyloxy)ethyl]azanium chloride
CID 139213202
butyl acetate;butyl butanoate;2-hydroxypropanoic acid
CID 174908523
2-acetyloxyethyl(trimethyl)azanium;2-(trimethylazaniumyl)ethyl phosphate
CID 87534294
2-acetyloxyethyl-tris(trideuteriomethyl)azanium bromide
CID 45038079

Frequently Asked Questions

What is the IUPAC name of 2-acetyloxyethyl(trimethyl)azanium;2-hydroxypropanoic acid?
The IUPAC name of 2-acetyloxyethyl(trimethyl)azanium;2-hydroxypropanoic acid (CID 158766752) is 2-acetyloxyethyl(trimethyl)azanium;2-hydroxypropanoic acid.
What is the SMILES notation for 2-acetyloxyethyl(trimethyl)azanium;2-hydroxypropanoic acid?
The canonical SMILES for 2-acetyloxyethyl(trimethyl)azanium;2-hydroxypropanoic acid is CC(=O)OCC[N+](C)(C)C.CC(O)C(=O)O.
What is the InChIKey of 2-acetyloxyethyl(trimethyl)azanium;2-hydroxypropanoic acid?
The InChIKey is IPIXADMSGWHOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO2.C3H6O3/c1-7(9)10-6-5-8(2,3)4;1-2(4)3(5)6/h5-6H2,1-4H3;2,4H,1H3,(H,5,6)/q+1;.
What are the key properties of 2-acetyloxyethyl(trimethyl)azanium;2-hydroxypropanoic acid?
2-acetyloxyethyl(trimethyl)azanium;2-hydroxypropanoic acid has a molecular weight of 236.29 g/mol, XLogP of -0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxyethyl(trimethyl)azanium;2-hydroxypropanoic acid is sourced from PubChem (CID 158766752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).