2-[4-(2-hydroxyethyl)morpholin-4-ium-4-yl]acetate

C8H15NO4 — CID 23279655

IUPAC2-[4-(2-hydroxyethyl)morpholin-4-ium-4-yl]acetate
SMILESO=C([O-])C[N+]1(CCO)CCOCC1
InChIInChI=1S/C8H15NO4/c10-4-1-9(7-8(11)12)2-5-13-6-3-9/h10H,1-7H2
InChIKeyQSLMMBIFHDFOJF-UHFFFAOYSA-N
MW189.21 g/mol
LogP-2.42
Rot. Bonds4

About 2-[4-(2-hydroxyethyl)morpholin-4-ium-4-yl]acetate

2-[4-(2-hydroxyethyl)morpholin-4-ium-4-yl]acetate (PubChem CID 23279655) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)morpholin-4-ium-4-yl]acetate.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)morpholin-4-ium-4-yl]acetate
PubChem CID23279655
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name2-[4-(2-hydroxyethyl)morpholin-4-ium-4-yl]acetate
SMILESO=C([O-])C[N+]1(CCO)CCOCC1
InChIInChI=1S/C8H15NO4/c10-4-1-9(7-8(11)12)2-5-13-6-3-9/h10H,1-7H2
InChIKeyQSLMMBIFHDFOJF-UHFFFAOYSA-N
XLogP-2.42
TPSA69.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-2.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-(2-hydroxyethyl)morpholin-4-ium-4-yl]acetate 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 2-[4-(2-hydroxyethyl)morpholin-4-ium-4-yl]acetate?
The IUPAC name of 2-[4-(2-hydroxyethyl)morpholin-4-ium-4-yl]acetate (CID 23279655) is 2-[4-(2-hydroxyethyl)morpholin-4-ium-4-yl]acetate.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)morpholin-4-ium-4-yl]acetate?
The canonical SMILES for 2-[4-(2-hydroxyethyl)morpholin-4-ium-4-yl]acetate is O=C([O-])C[N+]1(CCO)CCOCC1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)morpholin-4-ium-4-yl]acetate?
The InChIKey is QSLMMBIFHDFOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c10-4-1-9(7-8(11)12)2-5-13-6-3-9/h10H,1-7H2.
What are the key properties of 2-[4-(2-hydroxyethyl)morpholin-4-ium-4-yl]acetate?
2-[4-(2-hydroxyethyl)morpholin-4-ium-4-yl]acetate has a molecular weight of 189.21 g/mol, XLogP of -2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)morpholin-4-ium-4-yl]acetate is sourced from PubChem (CID 23279655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).