2,2-dimorpholin-4-ylacetate;morpholin-4-ium

C14H27N3O5 — CID 22557573

IUPAC2,2-dimorpholin-4-ylacetate;morpholin-4-ium
SMILESC1COCC[NH2+]1.O=C([O-])C(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C10H18N2O4.C4H9NO/c13-10(14)9(11-1-5-15-6-2-11)12-3-7-16-8-4-12;1-3-6-4-2-5-1/h9H,1-8H2,(H,13,14);5H,1-4H2
InChIKeyVAVANENYXZUGMA-UHFFFAOYSA-N
MW317.39 g/mol
LogP-3.69
Rot. Bonds3

About 2,2-dimorpholin-4-ylacetate;morpholin-4-ium

2,2-dimorpholin-4-ylacetate;morpholin-4-ium (PubChem CID 22557573) has the molecular formula C14H27N3O5 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2,2-dimorpholin-4-ylacetate;morpholin-4-ium.

Molecular Properties

Compound Name2,2-dimorpholin-4-ylacetate;morpholin-4-ium
PubChem CID22557573
Molecular FormulaC14H27N3O5
Molecular Weight317.39 g/mol
Exact Mass317.20
IUPAC Name2,2-dimorpholin-4-ylacetate;morpholin-4-ium
SMILESC1COCC[NH2+]1.O=C([O-])C(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C10H18N2O4.C4H9NO/c13-10(14)9(11-1-5-15-6-2-11)12-3-7-16-8-4-12;1-3-6-4-2-5-1/h9H,1-8H2,(H,13,14);5H,1-4H2
InChIKeyVAVANENYXZUGMA-UHFFFAOYSA-N
XLogP-3.69
TPSA90.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 5-3.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,2-Dimorpholin-4-ylacetic acid;morpholine
CID 12864795
3-Piperidin-1-ylmorpholin-2-one
CID 20263285
2,2-Dimorpholin-4-ylacetate
CID 22557659
3-(2-Oxomorpholin-4-yl)morpholin-2-one
CID 53913237
Morpholin-4-yl 2,2-dimorpholin-4-ylacetate
CID 69800557
4-Morpholin-3-ylmorpholin-2-one
CID 91179912
Formaldehyde;morpholine;4-(morpholin-4-ylmethyl)morpholine
CID 157222253
Methyl 2-morpholin-4-ylacetate;morpholine
CID 157797523
4-[Di(morpholin-4-ium-4-yl)methyl]morpholin-4-ium
CID 6946528
2-[[Dimorpholin-4-yl(thiophosphoroso)methyl]amino]acetic acid
CID 54056310
4-Piperidin-2-ylmorpholin-2-one
CID 112546370

Frequently Asked Questions

What is the IUPAC name of 2,2-dimorpholin-4-ylacetate;morpholin-4-ium?
The IUPAC name of 2,2-dimorpholin-4-ylacetate;morpholin-4-ium (CID 22557573) is 2,2-dimorpholin-4-ylacetate;morpholin-4-ium.
What is the SMILES notation for 2,2-dimorpholin-4-ylacetate;morpholin-4-ium?
The canonical SMILES for 2,2-dimorpholin-4-ylacetate;morpholin-4-ium is C1COCC[NH2+]1.O=C([O-])C(N1CCOCC1)N1CCOCC1.
What is the InChIKey of 2,2-dimorpholin-4-ylacetate;morpholin-4-ium?
The InChIKey is VAVANENYXZUGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4.C4H9NO/c13-10(14)9(11-1-5-15-6-2-11)12-3-7-16-8-4-12;1-3-6-4-2-5-1/h9H,1-8H2,(H,13,14);5H,1-4H2.
What are the key properties of 2,2-dimorpholin-4-ylacetate;morpholin-4-ium?
2,2-dimorpholin-4-ylacetate;morpholin-4-ium has a molecular weight of 317.39 g/mol, XLogP of -3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimorpholin-4-ylacetate;morpholin-4-ium is sourced from PubChem (CID 22557573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).