3-hydroxypropyl(trimethyl)azanium formate

C7H17NO3 — CID 19704308

IUPAC3-hydroxypropyl(trimethyl)azanium formate
SMILESC[N+](C)(C)CCCO.O=C[O-]
InChIInChI=1S/C6H16NO.CH2O2/c1-7(2,3)5-4-6-8;2-1-3/h8H,4-6H2,1-3H3;1H,(H,2,3)/q+1;/p-1
InChIKeyUXECSYGSVNRHFN-UHFFFAOYSA-M
MW163.22 g/mol
LogP-1.56
Rot. Bonds3

About 3-hydroxypropyl(trimethyl)azanium formate

3-hydroxypropyl(trimethyl)azanium formate (PubChem CID 19704308) has the molecular formula C7H17NO3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 3-hydroxypropyl(trimethyl)azanium formate.

Molecular Properties

Compound Name3-hydroxypropyl(trimethyl)azanium formate
PubChem CID19704308
Molecular FormulaC7H17NO3
Molecular Weight163.22 g/mol
Exact Mass163.12
IUPAC Name3-hydroxypropyl(trimethyl)azanium formate
SMILESC[N+](C)(C)CCCO.O=C[O-]
InChIInChI=1S/C6H16NO.CH2O2/c1-7(2,3)5-4-6-8;2-1-3/h8H,4-6H2,1-3H3;1H,(H,2,3)/q+1;/p-1
InChIKeyUXECSYGSVNRHFN-UHFFFAOYSA-M
XLogP-1.56
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 5-1.56
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'}

Analyze 3-hydroxypropyl(trimethyl)azanium formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxypropyl(trimethyl)azanium formate?
The IUPAC name of 3-hydroxypropyl(trimethyl)azanium formate (CID 19704308) is 3-hydroxypropyl(trimethyl)azanium formate.
What is the SMILES notation for 3-hydroxypropyl(trimethyl)azanium formate?
The canonical SMILES for 3-hydroxypropyl(trimethyl)azanium formate is C[N+](C)(C)CCCO.O=C[O-].
What is the InChIKey of 3-hydroxypropyl(trimethyl)azanium formate?
The InChIKey is UXECSYGSVNRHFN-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H16NO.CH2O2/c1-7(2,3)5-4-6-8;2-1-3/h8H,4-6H2,1-3H3;1H,(H,2,3)/q+1;/p-1.
What are the key properties of 3-hydroxypropyl(trimethyl)azanium formate?
3-hydroxypropyl(trimethyl)azanium formate has a molecular weight of 163.22 g/mol, XLogP of -1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypropyl(trimethyl)azanium formate is sourced from PubChem (CID 19704308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).