3-[2-(2-methoxyethoxy)ethoxy]propanoate;trimethyl(propyl)azanium

C14H31NO5 — CID 118645013

IUPAC3-[2-(2-methoxyethoxy)ethoxy]propanoate;trimethyl(propyl)azanium
SMILESCCC[N+](C)(C)C.COCCOCCOCCC(=O)[O-]
InChIInChI=1S/C8H16O5.C6H16N/c1-11-4-5-13-7-6-12-3-2-8(9)10;1-5-6-7(2,3)4/h2-7H2,1H3,(H,9,10);5-6H2,1-4H3/q;+1/p-1
InChIKeyICKATTWKOYQLBM-UHFFFAOYSA-M
MW293.40 g/mol
LogP-0.09
Rot. Bonds11

About 3-[2-(2-methoxyethoxy)ethoxy]propanoate;trimethyl(propyl)azanium

3-[2-(2-methoxyethoxy)ethoxy]propanoate;trimethyl(propyl)azanium (PubChem CID 118645013) has the molecular formula C14H31NO5 and a molecular weight of 293.40 g/mol. Its IUPAC name is 3-[2-(2-methoxyethoxy)ethoxy]propanoate;trimethyl(propyl)azanium.

Molecular Properties

Compound Name3-[2-(2-methoxyethoxy)ethoxy]propanoate;trimethyl(propyl)azanium
PubChem CID118645013
Molecular FormulaC14H31NO5
Molecular Weight293.40 g/mol
Exact Mass293.22
IUPAC Name3-[2-(2-methoxyethoxy)ethoxy]propanoate;trimethyl(propyl)azanium
SMILESCCC[N+](C)(C)C.COCCOCCOCCC(=O)[O-]
InChIInChI=1S/C8H16O5.C6H16N/c1-11-4-5-13-7-6-12-3-2-8(9)10;1-5-6-7(2,3)4/h2-7H2,1H3,(H,9,10);5-6H2,1-4H3/q;+1/p-1
InChIKeyICKATTWKOYQLBM-UHFFFAOYSA-M
XLogP-0.09
TPSA67.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[2-(2-methoxyethoxy)ethoxy]propanoate;trimethyl(propyl)azanium 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-[2-(2-methoxyethoxy)ethoxy]propanoate;trimethyl(propyl)azanium?
The IUPAC name of 3-[2-(2-methoxyethoxy)ethoxy]propanoate;trimethyl(propyl)azanium (CID 118645013) is 3-[2-(2-methoxyethoxy)ethoxy]propanoate;trimethyl(propyl)azanium.
What is the SMILES notation for 3-[2-(2-methoxyethoxy)ethoxy]propanoate;trimethyl(propyl)azanium?
The canonical SMILES for 3-[2-(2-methoxyethoxy)ethoxy]propanoate;trimethyl(propyl)azanium is CCC[N+](C)(C)C.COCCOCCOCCC(=O)[O-].
What is the InChIKey of 3-[2-(2-methoxyethoxy)ethoxy]propanoate;trimethyl(propyl)azanium?
The InChIKey is ICKATTWKOYQLBM-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H16O5.C6H16N/c1-11-4-5-13-7-6-12-3-2-8(9)10;1-5-6-7(2,3)4/h2-7H2,1H3,(H,9,10);5-6H2,1-4H3/q;+1/p-1.
What are the key properties of 3-[2-(2-methoxyethoxy)ethoxy]propanoate;trimethyl(propyl)azanium?
3-[2-(2-methoxyethoxy)ethoxy]propanoate;trimethyl(propyl)azanium has a molecular weight of 293.40 g/mol, XLogP of -0.09, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethoxy)ethoxy]propanoate;trimethyl(propyl)azanium is sourced from PubChem (CID 118645013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).