dimethyl 2,3-dimorpholin-4-ylbutanedioate

C14H24N2O6 — CID 2824790

IUPACdimethyl 2,3-dimorpholin-4-ylbutanedioate
SMILESCOC(=O)C(C(C(=O)OC)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C14H24N2O6/c1-19-13(17)11(15-3-7-21-8-4-15)12(14(18)20-2)16-5-9-22-10-6-16/h11-12H,3-10H2,1-2H3
InChIKeyDMSZXQRJAHRUGU-UHFFFAOYSA-N
MW316.35 g/mol
LogP-1.27
Rot. Bonds5

About dimethyl 2,3-dimorpholin-4-ylbutanedioate

dimethyl 2,3-dimorpholin-4-ylbutanedioate (PubChem CID 2824790) has the molecular formula C14H24N2O6 and a molecular weight of 316.35 g/mol. Its IUPAC name is dimethyl 2,3-dimorpholin-4-ylbutanedioate.

Molecular Properties

Compound Namedimethyl 2,3-dimorpholin-4-ylbutanedioate
PubChem CID2824790
Molecular FormulaC14H24N2O6
Molecular Weight316.35 g/mol
Exact Mass316.16
IUPAC Namedimethyl 2,3-dimorpholin-4-ylbutanedioate
SMILESCOC(=O)C(C(C(=O)OC)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C14H24N2O6/c1-19-13(17)11(15-3-7-21-8-4-15)12(14(18)20-2)16-5-9-22-10-6-16/h11-12H,3-10H2,1-2H3
InChIKeyDMSZXQRJAHRUGU-UHFFFAOYSA-N
XLogP-1.27
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 5-1.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2,3-dimorpholin-4-ylbutanedioate?
The IUPAC name of dimethyl 2,3-dimorpholin-4-ylbutanedioate (CID 2824790) is dimethyl 2,3-dimorpholin-4-ylbutanedioate.
What is the SMILES notation for dimethyl 2,3-dimorpholin-4-ylbutanedioate?
The canonical SMILES for dimethyl 2,3-dimorpholin-4-ylbutanedioate is COC(=O)C(C(C(=O)OC)N1CCOCC1)N1CCOCC1.
What is the InChIKey of dimethyl 2,3-dimorpholin-4-ylbutanedioate?
The InChIKey is DMSZXQRJAHRUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O6/c1-19-13(17)11(15-3-7-21-8-4-15)12(14(18)20-2)16-5-9-22-10-6-16/h11-12H,3-10H2,1-2H3.
What are the key properties of dimethyl 2,3-dimorpholin-4-ylbutanedioate?
dimethyl 2,3-dimorpholin-4-ylbutanedioate has a molecular weight of 316.35 g/mol, XLogP of -1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,3-dimorpholin-4-ylbutanedioate is sourced from PubChem (CID 2824790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).