2-hydroxyethyl(trimethyl)azanium formate

C6H15NO3 — CID 22016010

IUPAC2-hydroxyethyl(trimethyl)azanium formate
SMILESC[N+](C)(C)CCO.O=C[O-]
InChIInChI=1S/C5H14NO.CH2O2/c1-6(2,3)4-5-7;2-1-3/h7H,4-5H2,1-3H3;1H,(H,2,3)/q+1;/p-1
InChIKeyRANBUTDEKVWLAB-UHFFFAOYSA-M
MW149.19 g/mol
LogP-1.95
Rot. Bonds2

About 2-hydroxyethyl(trimethyl)azanium formate

2-hydroxyethyl(trimethyl)azanium formate (PubChem CID 22016010) has the molecular formula C6H15NO3 and a molecular weight of 149.19 g/mol. Its IUPAC name is 2-hydroxyethyl(trimethyl)azanium formate.

Molecular Properties

Compound Name2-hydroxyethyl(trimethyl)azanium formate
PubChem CID22016010
Molecular FormulaC6H15NO3
Molecular Weight149.19 g/mol
Exact Mass149.11
IUPAC Name2-hydroxyethyl(trimethyl)azanium formate
SMILESC[N+](C)(C)CCO.O=C[O-]
InChIInChI=1S/C5H14NO.CH2O2/c1-6(2,3)4-5-7;2-1-3/h7H,4-5H2,1-3H3;1H,(H,2,3)/q+1;/p-1
InChIKeyRANBUTDEKVWLAB-UHFFFAOYSA-M
XLogP-1.95
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 5-1.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-hydroxyethyl(trimethyl)azanium formate?
The IUPAC name of 2-hydroxyethyl(trimethyl)azanium formate (CID 22016010) is 2-hydroxyethyl(trimethyl)azanium formate.
What is the SMILES notation for 2-hydroxyethyl(trimethyl)azanium formate?
The canonical SMILES for 2-hydroxyethyl(trimethyl)azanium formate is C[N+](C)(C)CCO.O=C[O-].
What is the InChIKey of 2-hydroxyethyl(trimethyl)azanium formate?
The InChIKey is RANBUTDEKVWLAB-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H14NO.CH2O2/c1-6(2,3)4-5-7;2-1-3/h7H,4-5H2,1-3H3;1H,(H,2,3)/q+1;/p-1.
What are the key properties of 2-hydroxyethyl(trimethyl)azanium formate?
2-hydroxyethyl(trimethyl)azanium formate has a molecular weight of 149.19 g/mol, XLogP of -1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl(trimethyl)azanium formate is sourced from PubChem (CID 22016010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).