4-O-methyl 2-O-(2-morpholin-4-yl-2-oxoethyl) 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate

C16H22N2O6 — CID 17446674

IUPAC4-O-methyl 2-O-(2-morpholin-4-yl-2-oxoethyl) 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate
SMILESCCc1[nH]c(C(=O)OCC(=O)N2CCOCC2)c(C)c1C(=O)OC
InChIInChI=1S/C16H22N2O6/c1-4-11-13(15(20)22-3)10(2)14(17-11)16(21)24-9-12(19)18-5-7-23-8-6-18/h17H,4-9H2,1-3H3
InChIKeySGICDHLNULXJHN-UHFFFAOYSA-N
MW338.36 g/mol
LogP0.69
Rot. Bonds5

About 4-O-methyl 2-O-(2-morpholin-4-yl-2-oxoethyl) 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate

4-O-methyl 2-O-(2-morpholin-4-yl-2-oxoethyl) 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate (PubChem CID 17446674) has the molecular formula C16H22N2O6 and a molecular weight of 338.36 g/mol. Its IUPAC name is 4-O-methyl 2-O-(2-morpholin-4-yl-2-oxoethyl) 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate.

Molecular Properties

Compound Name4-O-methyl 2-O-(2-morpholin-4-yl-2-oxoethyl) 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate
PubChem CID17446674
Molecular FormulaC16H22N2O6
Molecular Weight338.36 g/mol
Exact Mass338.15
IUPAC Name4-O-methyl 2-O-(2-morpholin-4-yl-2-oxoethyl) 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate
SMILESCCc1[nH]c(C(=O)OCC(=O)N2CCOCC2)c(C)c1C(=O)OC
InChIInChI=1S/C16H22N2O6/c1-4-11-13(15(20)22-3)10(2)14(17-11)16(21)24-9-12(19)18-5-7-23-8-6-18/h17H,4-9H2,1-3H3
InChIKeySGICDHLNULXJHN-UHFFFAOYSA-N
XLogP0.69
TPSA97.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-O-methyl 2-O-(2-morpholin-4-yl-2-oxoethyl) 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate?
The IUPAC name of 4-O-methyl 2-O-(2-morpholin-4-yl-2-oxoethyl) 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate (CID 17446674) is 4-O-methyl 2-O-(2-morpholin-4-yl-2-oxoethyl) 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate.
What is the SMILES notation for 4-O-methyl 2-O-(2-morpholin-4-yl-2-oxoethyl) 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate?
The canonical SMILES for 4-O-methyl 2-O-(2-morpholin-4-yl-2-oxoethyl) 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate is CCc1[nH]c(C(=O)OCC(=O)N2CCOCC2)c(C)c1C(=O)OC.
What is the InChIKey of 4-O-methyl 2-O-(2-morpholin-4-yl-2-oxoethyl) 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate?
The InChIKey is SGICDHLNULXJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O6/c1-4-11-13(15(20)22-3)10(2)14(17-11)16(21)24-9-12(19)18-5-7-23-8-6-18/h17H,4-9H2,1-3H3.
What are the key properties of 4-O-methyl 2-O-(2-morpholin-4-yl-2-oxoethyl) 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate?
4-O-methyl 2-O-(2-morpholin-4-yl-2-oxoethyl) 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate has a molecular weight of 338.36 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-methyl 2-O-(2-morpholin-4-yl-2-oxoethyl) 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate is sourced from PubChem (CID 17446674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).