2,2-dimorpholin-4-ylethyl hydrogen carbonate

C11H20N2O5 — CID 23221016

IUPAC2,2-dimorpholin-4-ylethyl hydrogen carbonate
SMILESO=C(O)OCC(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C11H20N2O5/c14-11(15)18-9-10(12-1-5-16-6-2-12)13-3-7-17-8-4-13/h10H,1-9H2,(H,14,15)
InChIKeyJHMYQZADURWPCU-UHFFFAOYSA-N
MW260.29 g/mol
LogP-0.33
Rot. Bonds4

About 2,2-dimorpholin-4-ylethyl hydrogen carbonate

2,2-dimorpholin-4-ylethyl hydrogen carbonate (PubChem CID 23221016) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2,2-dimorpholin-4-ylethyl hydrogen carbonate.

Molecular Properties

Compound Name2,2-dimorpholin-4-ylethyl hydrogen carbonate
PubChem CID23221016
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name2,2-dimorpholin-4-ylethyl hydrogen carbonate
SMILESO=C(O)OCC(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C11H20N2O5/c14-11(15)18-9-10(12-1-5-16-6-2-12)13-3-7-17-8-4-13/h10H,1-9H2,(H,14,15)
InChIKeyJHMYQZADURWPCU-UHFFFAOYSA-N
XLogP-0.33
TPSA71.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,2-Dimorpholin-4-ylacetic acid
CID 12864794
1,1-Dimorpholin-4-ylethyl hydrogen carbonate
CID 18944447
Bis(2-morpholin-4-ylethyl) carbonate
CID 19419886
4-(Morpholine-4-carbonyl)piperazine-1-carboxylic acid
CID 21716250
2,2-Di(piperidin-1-yl)ethyl hydrogen carbonate
CID 54267131
2,2-Dimorpholin-4-ylethanol
CID 57005644
1,1-Dimorpholin-4-ylethyl hydrogen carbonate;dihydrochloride
CID 67573550
2,2-Dimorpholin-4-ylethyl hydrogen carbonate;dihydrochloride
CID 67573552
1,1-Dimorpholin-4-ylethanol
CID 90783844
4-[1-(2,6-Dihydroxymorpholin-4-yl)ethyl]morpholine-2,6-diol
CID 141369083
2-Morpholin-4-ylethoxycarbonyl 2-morpholin-4-ylethyl carbonate
CID 143690567
Dimorpholin-4-ylmethanone;formic acid
CID 159867764

Frequently Asked Questions

What is the IUPAC name of 2,2-dimorpholin-4-ylethyl hydrogen carbonate?
The IUPAC name of 2,2-dimorpholin-4-ylethyl hydrogen carbonate (CID 23221016) is 2,2-dimorpholin-4-ylethyl hydrogen carbonate.
What is the SMILES notation for 2,2-dimorpholin-4-ylethyl hydrogen carbonate?
The canonical SMILES for 2,2-dimorpholin-4-ylethyl hydrogen carbonate is O=C(O)OCC(N1CCOCC1)N1CCOCC1.
What is the InChIKey of 2,2-dimorpholin-4-ylethyl hydrogen carbonate?
The InChIKey is JHMYQZADURWPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c14-11(15)18-9-10(12-1-5-16-6-2-12)13-3-7-17-8-4-13/h10H,1-9H2,(H,14,15).
What are the key properties of 2,2-dimorpholin-4-ylethyl hydrogen carbonate?
2,2-dimorpholin-4-ylethyl hydrogen carbonate has a molecular weight of 260.29 g/mol, XLogP of -0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimorpholin-4-ylethyl hydrogen carbonate is sourced from PubChem (CID 23221016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).