methyl 4-[3-(dimethylamino)-3-oxopropyl]morpholine-3-carboxylate

C11H20N2O4 — CID 115670530

IUPACmethyl 4-[3-(dimethylamino)-3-oxopropyl]morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1CCC(=O)N(C)C
InChIInChI=1S/C11H20N2O4/c1-12(2)10(14)4-5-13-6-7-17-8-9(13)11(15)16-3/h9H,4-8H2,1-3H3
InChIKeyRPUQNECDZWCYOC-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.66
Rot. Bonds4

About methyl 4-[3-(dimethylamino)-3-oxopropyl]morpholine-3-carboxylate

methyl 4-[3-(dimethylamino)-3-oxopropyl]morpholine-3-carboxylate (PubChem CID 115670530) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl 4-[3-(dimethylamino)-3-oxopropyl]morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[3-(dimethylamino)-3-oxopropyl]morpholine-3-carboxylate
PubChem CID115670530
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Namemethyl 4-[3-(dimethylamino)-3-oxopropyl]morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1CCC(=O)N(C)C
InChIInChI=1S/C11H20N2O4/c1-12(2)10(14)4-5-13-6-7-17-8-9(13)11(15)16-3/h9H,4-8H2,1-3H3
InChIKeyRPUQNECDZWCYOC-UHFFFAOYSA-N
XLogP-0.66
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(4-hydroxybutyl)morpholine-3-carboxylate
CID 115670600
methyl 4-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]morpholine-3-carboxylate
CID 115752681
methyl (3R)-4-(2-cyanoethyl)morpholine-3-carboxylate
CID 97300104
methyl 4-[(E)-but-2-enyl]morpholine-3-carboxylate
CID 115670620
methyl 4-[2-(dipropylamino)-2-oxoethyl]morpholine-3-carboxylate
CID 115670583
methyl 4-[2-[3-aminopropyl(methyl)amino]-2-oxoethyl]morpholine-3-carboxylate
CID 104774499
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-(oxolan-3-ylmethyl)morpholine-3-carboxylate
CID 115670570
methyl 4-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]morpholine-3-carboxylate
CID 115670521
ethane;methyl 4-methylmorpholine-3-carboxylate
CID 144576536
methyl 4-[2-(azetidin-1-yl)-2-oxoethyl]morpholine-3-carboxylate
CID 115670529

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-(dimethylamino)-3-oxopropyl]morpholine-3-carboxylate?
The IUPAC name of methyl 4-[3-(dimethylamino)-3-oxopropyl]morpholine-3-carboxylate (CID 115670530) is methyl 4-[3-(dimethylamino)-3-oxopropyl]morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-[3-(dimethylamino)-3-oxopropyl]morpholine-3-carboxylate?
The canonical SMILES for methyl 4-[3-(dimethylamino)-3-oxopropyl]morpholine-3-carboxylate is COC(=O)C1COCCN1CCC(=O)N(C)C.
What is the InChIKey of methyl 4-[3-(dimethylamino)-3-oxopropyl]morpholine-3-carboxylate?
The InChIKey is RPUQNECDZWCYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-12(2)10(14)4-5-13-6-7-17-8-9(13)11(15)16-3/h9H,4-8H2,1-3H3.
What are the key properties of methyl 4-[3-(dimethylamino)-3-oxopropyl]morpholine-3-carboxylate?
methyl 4-[3-(dimethylamino)-3-oxopropyl]morpholine-3-carboxylate has a molecular weight of 244.29 g/mol, XLogP of -0.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-(dimethylamino)-3-oxopropyl]morpholine-3-carboxylate is sourced from PubChem (CID 115670530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).