2,2-dimorpholin-4-ylacetate

C10H17N2O4- — CID 22557659

IUPAC2,2-dimorpholin-4-ylacetate
SMILESO=C([O-])C(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C10H18N2O4/c13-10(14)9(11-1-5-15-6-2-11)12-3-7-16-8-4-12/h9H,1-8H2,(H,13,14)/p-1
InChIKeyMQRGYZOIAQKSMC-UHFFFAOYSA-M
MW229.26 g/mol
LogP-2.27
Rot. Bonds3

About 2,2-dimorpholin-4-ylacetate

2,2-dimorpholin-4-ylacetate (PubChem CID 22557659) has the molecular formula C10H17N2O4- and a molecular weight of 229.26 g/mol. Its IUPAC name is 2,2-dimorpholin-4-ylacetate.

Molecular Properties

Compound Name2,2-dimorpholin-4-ylacetate
PubChem CID22557659
Molecular FormulaC10H17N2O4-
Molecular Weight229.26 g/mol
Exact Mass229.12
IUPAC Name2,2-dimorpholin-4-ylacetate
SMILESO=C([O-])C(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C10H18N2O4/c13-10(14)9(11-1-5-15-6-2-11)12-3-7-16-8-4-12/h9H,1-8H2,(H,13,14)/p-1
InChIKeyMQRGYZOIAQKSMC-UHFFFAOYSA-M
XLogP-2.27
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 5-2.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimorpholin-4-ylacetate?
The IUPAC name of 2,2-dimorpholin-4-ylacetate (CID 22557659) is 2,2-dimorpholin-4-ylacetate.
What is the SMILES notation for 2,2-dimorpholin-4-ylacetate?
The canonical SMILES for 2,2-dimorpholin-4-ylacetate is O=C([O-])C(N1CCOCC1)N1CCOCC1.
What is the InChIKey of 2,2-dimorpholin-4-ylacetate?
The InChIKey is MQRGYZOIAQKSMC-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H18N2O4/c13-10(14)9(11-1-5-15-6-2-11)12-3-7-16-8-4-12/h9H,1-8H2,(H,13,14)/p-1.
What are the key properties of 2,2-dimorpholin-4-ylacetate?
2,2-dimorpholin-4-ylacetate has a molecular weight of 229.26 g/mol, XLogP of -2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimorpholin-4-ylacetate is sourced from PubChem (CID 22557659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).