methyl 4-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]morpholine-3-carboxylate

C11H17N3O5 — CID 115670521

IUPACmethyl 4-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1CCN1C(=O)CNC1=O
InChIInChI=1S/C11H17N3O5/c1-18-10(16)8-7-19-5-4-13(8)2-3-14-9(15)6-12-11(14)17/h8H,2-7H2,1H3,(H,12,17)
InChIKeyQETDYXKERUHOFZ-UHFFFAOYSA-N
MW271.27 g/mol
LogP-1.59
Rot. Bonds4

About methyl 4-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]morpholine-3-carboxylate

methyl 4-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]morpholine-3-carboxylate (PubChem CID 115670521) has the molecular formula C11H17N3O5 and a molecular weight of 271.27 g/mol. Its IUPAC name is methyl 4-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]morpholine-3-carboxylate
PubChem CID115670521
Molecular FormulaC11H17N3O5
Molecular Weight271.27 g/mol
Exact Mass271.12
IUPAC Namemethyl 4-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1CCN1C(=O)CNC1=O
InChIInChI=1S/C11H17N3O5/c1-18-10(16)8-7-19-5-4-13(8)2-3-14-9(15)6-12-11(14)17/h8H,2-7H2,1H3,(H,12,17)
InChIKeyQETDYXKERUHOFZ-UHFFFAOYSA-N
XLogP-1.59
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 5-1.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(4-hydroxybutyl)morpholine-3-carboxylate
CID 115670600
methyl (3R)-4-(2-cyanoethyl)morpholine-3-carboxylate
CID 97300104
methyl 4-[3-(dimethylamino)-3-oxopropyl]morpholine-3-carboxylate
CID 115670530
methyl 4-(3-methylbut-2-enyl)morpholine-3-carboxylate
CID 115670618
methyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]morpholine-3-carboxylate
CID 170994682
methyl 4-(2-thiophen-2-ylethyl)morpholine-3-carboxylate
CID 115670411
methyl 4-[(E)-but-2-enyl]morpholine-3-carboxylate
CID 115670620
methyl 4-(oxolan-3-ylmethyl)morpholine-3-carboxylate
CID 115670570
ethane;methyl 4-methylmorpholine-3-carboxylate
CID 144576536
methyl 4-[2-(azetidin-1-yl)-2-oxoethyl]morpholine-3-carboxylate
CID 115670529
methyl 2-[1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]piperidin-2-yl]acetate
CID 61363381
methyl 4-[(3-chloro-2-fluorophenyl)methyl]morpholine-3-carboxylate
CID 103886869

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]morpholine-3-carboxylate?
The IUPAC name of methyl 4-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]morpholine-3-carboxylate (CID 115670521) is methyl 4-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]morpholine-3-carboxylate?
The canonical SMILES for methyl 4-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]morpholine-3-carboxylate is COC(=O)C1COCCN1CCN1C(=O)CNC1=O.
What is the InChIKey of methyl 4-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]morpholine-3-carboxylate?
The InChIKey is QETDYXKERUHOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5/c1-18-10(16)8-7-19-5-4-13(8)2-3-14-9(15)6-12-11(14)17/h8H,2-7H2,1H3,(H,12,17).
What are the key properties of methyl 4-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]morpholine-3-carboxylate?
methyl 4-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]morpholine-3-carboxylate has a molecular weight of 271.27 g/mol, XLogP of -1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]morpholine-3-carboxylate is sourced from PubChem (CID 115670521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).