2-hydroxypropoxycarbonyl(trimethyl)azanium

C7H16NO3+ — CID 175444209

IUPAC2-hydroxypropoxycarbonyl(trimethyl)azanium
SMILESCC(O)COC(=O)[N+](C)(C)C
InChIInChI=1S/C7H16NO3/c1-6(9)5-11-7(10)8(2,3)4/h6,9H,5H2,1-4H3/q+1
InChIKeyLWHWPYFXJGTZNW-UHFFFAOYSA-N
MW162.21 g/mol
LogP0.21
Rot. Bonds2

About 2-hydroxypropoxycarbonyl(trimethyl)azanium

2-hydroxypropoxycarbonyl(trimethyl)azanium (PubChem CID 175444209) has the molecular formula C7H16NO3+ and a molecular weight of 162.21 g/mol. Its IUPAC name is 2-hydroxypropoxycarbonyl(trimethyl)azanium.

Molecular Properties

Compound Name2-hydroxypropoxycarbonyl(trimethyl)azanium
PubChem CID175444209
Molecular FormulaC7H16NO3+
Molecular Weight162.21 g/mol
Exact Mass162.11
IUPAC Name2-hydroxypropoxycarbonyl(trimethyl)azanium
SMILESCC(O)COC(=O)[N+](C)(C)C
InChIInChI=1S/C7H16NO3/c1-6(9)5-11-7(10)8(2,3)4/h6,9H,5H2,1-4H3/q+1
InChIKeyLWHWPYFXJGTZNW-UHFFFAOYSA-N
XLogP0.21
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethanol;2-hydroxypropyl acetate
CID 88717262
2-hydroxypropyl acetate;mercury
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2-hydroxypropyl 2-methylpropyl carbonate
CID 118462000
2-hydroxypropyl 2-(hydroxymethyl)prop-2-enoate
CID 87776610
hexakis(2-hydroxypropyl methyl carbonate);methane;hexakis(yttrium)
CID 157481977
3-(2-hydroxypropoxycarbonyl)but-3-enyl-trimethylazanium
CID 174742352
1-O-(2-hydroxypropyl) 4-O-methyl 2,3-dimethylbutanedioate
CID 155641970
3-(2-hydroxypropoxy)-3-oxopropanoic acid
CID 58952816
N,N-dimethylmethanamine;2-hydroxypropyl acetate;hydrochloride
CID 173444949
2-hydroxypropyl acetate;methoxyperoxymethane
CID 87580480
2-hydroxypropyl 3-sulfanylpropanoate
CID 87339203
butane-1,4-diol;2-hydroxypropyl 2-methylprop-2-enoate
CID 87278867

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropoxycarbonyl(trimethyl)azanium?
The IUPAC name of 2-hydroxypropoxycarbonyl(trimethyl)azanium (CID 175444209) is 2-hydroxypropoxycarbonyl(trimethyl)azanium.
What is the SMILES notation for 2-hydroxypropoxycarbonyl(trimethyl)azanium?
The canonical SMILES for 2-hydroxypropoxycarbonyl(trimethyl)azanium is CC(O)COC(=O)[N+](C)(C)C.
What is the InChIKey of 2-hydroxypropoxycarbonyl(trimethyl)azanium?
The InChIKey is LWHWPYFXJGTZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO3/c1-6(9)5-11-7(10)8(2,3)4/h6,9H,5H2,1-4H3/q+1.
What are the key properties of 2-hydroxypropoxycarbonyl(trimethyl)azanium?
2-hydroxypropoxycarbonyl(trimethyl)azanium has a molecular weight of 162.21 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropoxycarbonyl(trimethyl)azanium is sourced from PubChem (CID 175444209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).