(2-hydroxy-3-oxopropyl)-trimethylazanium

C6H14NO2+ — CID 19089542

IUPAC(2-hydroxy-3-oxopropyl)-trimethylazanium
SMILESC[N+](C)(C)CC(O)C=O
InChIInChI=1S/C6H14NO2/c1-7(2,3)4-6(9)5-8/h5-6,9H,4H2,1-3H3/q+1
InChIKeyGUWWZPKAPVIQRW-UHFFFAOYSA-N
MW132.18 g/mol
LogP-0.75
Rot. Bonds3

About (2-hydroxy-3-oxopropyl)-trimethylazanium

(2-hydroxy-3-oxopropyl)-trimethylazanium (PubChem CID 19089542) has the molecular formula C6H14NO2+ and a molecular weight of 132.18 g/mol. Its IUPAC name is (2-hydroxy-3-oxopropyl)-trimethylazanium.

Molecular Properties

Compound Name(2-hydroxy-3-oxopropyl)-trimethylazanium
PubChem CID19089542
Molecular FormulaC6H14NO2+
Molecular Weight132.18 g/mol
Exact Mass132.10
IUPAC Name(2-hydroxy-3-oxopropyl)-trimethylazanium
SMILESC[N+](C)(C)CC(O)C=O
InChIInChI=1S/C6H14NO2/c1-7(2,3)4-6(9)5-8/h5-6,9H,4H2,1-3H3/q+1
InChIKeyGUWWZPKAPVIQRW-UHFFFAOYSA-N
XLogP-0.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-oxopropyl)-trimethylazanium?
The IUPAC name of (2-hydroxy-3-oxopropyl)-trimethylazanium (CID 19089542) is (2-hydroxy-3-oxopropyl)-trimethylazanium.
What is the SMILES notation for (2-hydroxy-3-oxopropyl)-trimethylazanium?
The canonical SMILES for (2-hydroxy-3-oxopropyl)-trimethylazanium is C[N+](C)(C)CC(O)C=O.
What is the InChIKey of (2-hydroxy-3-oxopropyl)-trimethylazanium?
The InChIKey is GUWWZPKAPVIQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO2/c1-7(2,3)4-6(9)5-8/h5-6,9H,4H2,1-3H3/q+1.
What are the key properties of (2-hydroxy-3-oxopropyl)-trimethylazanium?
(2-hydroxy-3-oxopropyl)-trimethylazanium has a molecular weight of 132.18 g/mol, XLogP of -0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-oxopropyl)-trimethylazanium is sourced from PubChem (CID 19089542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).