[(2R)-2-acetyloxypropyl]-trimethylazanium

C8H18NO2+ — CID 7048706

IUPAC[(2R)-2-acetyloxypropyl]-trimethylazanium
SMILESCC(=O)O[C@H](C)C[N+](C)(C)C
InChIInChI=1S/C8H18NO2/c1-7(11-8(2)10)6-9(3,4)5/h7H,6H2,1-5H3/q+1/t7-/m1/s1
InChIKeyNZWOPGCLSHLLPA-SSDOTTSWSA-N
MW160.24 g/mol
LogP0.64
Rot. Bonds3

About [(2R)-2-acetyloxypropyl]-trimethylazanium

[(2R)-2-acetyloxypropyl]-trimethylazanium (PubChem CID 7048706) has the molecular formula C8H18NO2+ and a molecular weight of 160.24 g/mol. Its IUPAC name is [(2R)-2-acetyloxypropyl]-trimethylazanium.

Molecular Properties

Compound Name[(2R)-2-acetyloxypropyl]-trimethylazanium
PubChem CID7048706
Molecular FormulaC8H18NO2+
Molecular Weight160.24 g/mol
Exact Mass160.13
IUPAC Name[(2R)-2-acetyloxypropyl]-trimethylazanium
SMILESCC(=O)O[C@H](C)C[N+](C)(C)C
InChIInChI=1S/C8H18NO2/c1-7(11-8(2)10)6-9(3,4)5/h7H,6H2,1-5H3/q+1/t7-/m1/s1
InChIKeyNZWOPGCLSHLLPA-SSDOTTSWSA-N
XLogP0.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-acetyloxypropyl]-trimethylazanium?
The IUPAC name of [(2R)-2-acetyloxypropyl]-trimethylazanium (CID 7048706) is [(2R)-2-acetyloxypropyl]-trimethylazanium.
What is the SMILES notation for [(2R)-2-acetyloxypropyl]-trimethylazanium?
The canonical SMILES for [(2R)-2-acetyloxypropyl]-trimethylazanium is CC(=O)O[C@H](C)C[N+](C)(C)C.
What is the InChIKey of [(2R)-2-acetyloxypropyl]-trimethylazanium?
The InChIKey is NZWOPGCLSHLLPA-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H18NO2/c1-7(11-8(2)10)6-9(3,4)5/h7H,6H2,1-5H3/q+1/t7-/m1/s1.
What are the key properties of [(2R)-2-acetyloxypropyl]-trimethylazanium?
[(2R)-2-acetyloxypropyl]-trimethylazanium has a molecular weight of 160.24 g/mol, XLogP of 0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-acetyloxypropyl]-trimethylazanium is sourced from PubChem (CID 7048706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).