tetramethyl 1-morpholin-4-ylethane-1,1,2,2-tetracarboxylate

C14H21NO9 — CID 625645

IUPACtetramethyl 1-morpholin-4-ylethane-1,1,2,2-tetracarboxylate
SMILESCOC(=O)C(C(=O)OC)C(C(=O)OC)(C(=O)OC)N1CCOCC1
InChIInChI=1S/C14H21NO9/c1-20-10(16)9(11(17)21-2)14(12(18)22-3,13(19)23-4)15-5-7-24-8-6-15/h9H,5-8H2,1-4H3
InChIKeyCRTKRRSNILBHSU-UHFFFAOYSA-N
MW347.32 g/mol
LogP-1.63
Rot. Bonds6

About tetramethyl 1-morpholin-4-ylethane-1,1,2,2-tetracarboxylate

tetramethyl 1-morpholin-4-ylethane-1,1,2,2-tetracarboxylate (PubChem CID 625645) has the molecular formula C14H21NO9 and a molecular weight of 347.32 g/mol. Its IUPAC name is tetramethyl 1-morpholin-4-ylethane-1,1,2,2-tetracarboxylate.

Molecular Properties

Compound Nametetramethyl 1-morpholin-4-ylethane-1,1,2,2-tetracarboxylate
PubChem CID625645
Molecular FormulaC14H21NO9
Molecular Weight347.32 g/mol
Exact Mass347.12
IUPAC Nametetramethyl 1-morpholin-4-ylethane-1,1,2,2-tetracarboxylate
SMILESCOC(=O)C(C(=O)OC)C(C(=O)OC)(C(=O)OC)N1CCOCC1
InChIInChI=1S/C14H21NO9/c1-20-10(16)9(11(17)21-2)14(12(18)22-3,13(19)23-4)15-5-7-24-8-6-15/h9H,5-8H2,1-4H3
InChIKeyCRTKRRSNILBHSU-UHFFFAOYSA-N
XLogP-1.63
TPSA117.67 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.32
LogP ≤ 5-1.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

Triethyl 2-morpholino-1,1,2-ethanetricarboxylate
CID 3812720
1-O-ethyl 4-O-methyl 2-methyl-3-morpholin-4-ylbutanedioate
CID 74936058
Triethyl 1-(dimethylamino)ethane-1,1,2-tricarboxylate
CID 134926486
Triethyl 2-(dimethylamino)ethane-1,1,2-tricarboxylate
CID 134927138
Diethyl 2-(4-methyl-2-oxomorpholin-3-yl)propanedioate
CID 25214389
Diethyl 2-ethyl-2-morpholin-4-ylpropanedioate
CID 70381132
Diethyl 2-(1-morpholin-4-ylethyl)propanedioate
CID 141548028
Tetramethyl 1-morpholin-4-ium-4-ylethane-1,1,2,2-tetracarboxylate
CID 1909558
Diethyl 2-(2-oxomorpholin-3-yl)propanedioate
CID 25214920
Diethyl 2-(5,5-dimethyl-2-oxomorpholin-3-yl)propanedioate
CID 25214921
diethyl 2-[(3R,5S)-5-methyl-2-oxomorpholin-3-yl]propanedioate
CID 25215405
triethyl (2R)-2-morpholin-4-ylethane-1,1,2-tricarboxylate
CID 28908426

Frequently Asked Questions

What is the IUPAC name of tetramethyl 1-morpholin-4-ylethane-1,1,2,2-tetracarboxylate?
The IUPAC name of tetramethyl 1-morpholin-4-ylethane-1,1,2,2-tetracarboxylate (CID 625645) is tetramethyl 1-morpholin-4-ylethane-1,1,2,2-tetracarboxylate.
What is the SMILES notation for tetramethyl 1-morpholin-4-ylethane-1,1,2,2-tetracarboxylate?
The canonical SMILES for tetramethyl 1-morpholin-4-ylethane-1,1,2,2-tetracarboxylate is COC(=O)C(C(=O)OC)C(C(=O)OC)(C(=O)OC)N1CCOCC1.
What is the InChIKey of tetramethyl 1-morpholin-4-ylethane-1,1,2,2-tetracarboxylate?
The InChIKey is CRTKRRSNILBHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO9/c1-20-10(16)9(11(17)21-2)14(12(18)22-3,13(19)23-4)15-5-7-24-8-6-15/h9H,5-8H2,1-4H3.
What are the key properties of tetramethyl 1-morpholin-4-ylethane-1,1,2,2-tetracarboxylate?
tetramethyl 1-morpholin-4-ylethane-1,1,2,2-tetracarboxylate has a molecular weight of 347.32 g/mol, XLogP of -1.63, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethyl 1-morpholin-4-ylethane-1,1,2,2-tetracarboxylate is sourced from PubChem (CID 625645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).