ethyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate

C16H26N2O5 — CID 52944863

IUPACethyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate
SMILESCCOC(=O)C(CCCCN1C(=O)CCC1=O)N1CCOCC1
InChIInChI=1S/C16H26N2O5/c1-2-23-16(21)13(17-9-11-22-12-10-17)5-3-4-8-18-14(19)6-7-15(18)20/h13H,2-12H2,1H3
InChIKeyZLBLXJKUCKKQHF-UHFFFAOYSA-N
MW326.39 g/mol
LogP0.57
Rot. Bonds8

About ethyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate

ethyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate (PubChem CID 52944863) has the molecular formula C16H26N2O5 and a molecular weight of 326.39 g/mol. Its IUPAC name is ethyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate.

Molecular Properties

Compound Nameethyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate
PubChem CID52944863
Molecular FormulaC16H26N2O5
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Nameethyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate
SMILESCCOC(=O)C(CCCCN1C(=O)CCC1=O)N1CCOCC1
InChIInChI=1S/C16H26N2O5/c1-2-23-16(21)13(17-9-11-22-12-10-17)5-3-4-8-18-14(19)6-7-15(18)20/h13H,2-12H2,1H3
InChIKeyZLBLXJKUCKKQHF-UHFFFAOYSA-N
XLogP0.57
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate?
The IUPAC name of ethyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate (CID 52944863) is ethyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate.
What is the SMILES notation for ethyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate?
The canonical SMILES for ethyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate is CCOC(=O)C(CCCCN1C(=O)CCC1=O)N1CCOCC1.
What is the InChIKey of ethyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate?
The InChIKey is ZLBLXJKUCKKQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5/c1-2-23-16(21)13(17-9-11-22-12-10-17)5-3-4-8-18-14(19)6-7-15(18)20/h13H,2-12H2,1H3.
What are the key properties of ethyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate?
ethyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate has a molecular weight of 326.39 g/mol, XLogP of 0.57, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate is sourced from PubChem (CID 52944863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).