1,1-dimorpholin-4-ylethyl hydrogen carbonate

C11H20N2O5 — CID 18944447

IUPAC1,1-dimorpholin-4-ylethyl hydrogen carbonate
SMILESCC(OC(=O)O)(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C11H20N2O5/c1-11(18-10(14)15,12-2-6-16-7-3-12)13-4-8-17-9-5-13/h2-9H2,1H3,(H,14,15)
InChIKeyOVSGAHKGQPTKRE-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.02
Rot. Bonds3

About 1,1-dimorpholin-4-ylethyl hydrogen carbonate

1,1-dimorpholin-4-ylethyl hydrogen carbonate (PubChem CID 18944447) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1,1-dimorpholin-4-ylethyl hydrogen carbonate.

Molecular Properties

Compound Name1,1-dimorpholin-4-ylethyl hydrogen carbonate
PubChem CID18944447
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name1,1-dimorpholin-4-ylethyl hydrogen carbonate
SMILESCC(OC(=O)O)(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C11H20N2O5/c1-11(18-10(14)15,12-2-6-16-7-3-12)13-4-8-17-9-5-13/h2-9H2,1H3,(H,14,15)
InChIKeyOVSGAHKGQPTKRE-UHFFFAOYSA-N
XLogP0.02
TPSA71.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1,1-dimorpholin-4-ylethyl hydrogen carbonate 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 1,1-dimorpholin-4-ylethyl hydrogen carbonate?
The IUPAC name of 1,1-dimorpholin-4-ylethyl hydrogen carbonate (CID 18944447) is 1,1-dimorpholin-4-ylethyl hydrogen carbonate.
What is the SMILES notation for 1,1-dimorpholin-4-ylethyl hydrogen carbonate?
The canonical SMILES for 1,1-dimorpholin-4-ylethyl hydrogen carbonate is CC(OC(=O)O)(N1CCOCC1)N1CCOCC1.
What is the InChIKey of 1,1-dimorpholin-4-ylethyl hydrogen carbonate?
The InChIKey is OVSGAHKGQPTKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-11(18-10(14)15,12-2-6-16-7-3-12)13-4-8-17-9-5-13/h2-9H2,1H3,(H,14,15).
What are the key properties of 1,1-dimorpholin-4-ylethyl hydrogen carbonate?
1,1-dimorpholin-4-ylethyl hydrogen carbonate has a molecular weight of 260.29 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimorpholin-4-ylethyl hydrogen carbonate is sourced from PubChem (CID 18944447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).