(4,4-dimethyl-2-oxooxolan-3-yl) 2-morpholin-4-ylacetate

C12H19NO5 — CID 170264942

IUPAC(4,4-dimethyl-2-oxooxolan-3-yl) 2-morpholin-4-ylacetate
SMILESCC1(C)COC(=O)C1OC(=O)CN1CCOCC1
InChIInChI=1S/C12H19NO5/c1-12(2)8-17-11(15)10(12)18-9(14)7-13-3-5-16-6-4-13/h10H,3-8H2,1-2H3
InChIKeyUQGWIBPIVOYXKP-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.19
Rot. Bonds3

About (4,4-dimethyl-2-oxooxolan-3-yl) 2-morpholin-4-ylacetate

(4,4-dimethyl-2-oxooxolan-3-yl) 2-morpholin-4-ylacetate (PubChem CID 170264942) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is (4,4-dimethyl-2-oxooxolan-3-yl) 2-morpholin-4-ylacetate.

Molecular Properties

Compound Name(4,4-dimethyl-2-oxooxolan-3-yl) 2-morpholin-4-ylacetate
PubChem CID170264942
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Name(4,4-dimethyl-2-oxooxolan-3-yl) 2-morpholin-4-ylacetate
SMILESCC1(C)COC(=O)C1OC(=O)CN1CCOCC1
InChIInChI=1S/C12H19NO5/c1-12(2)8-17-11(15)10(12)18-9(14)7-13-3-5-16-6-4-13/h10H,3-8H2,1-2H3
InChIKeyUQGWIBPIVOYXKP-UHFFFAOYSA-N
XLogP-0.19
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4,4-dimethyl-2-oxooxolan-3-yl) 2-morpholin-4-ylacetate with MolForge

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Related Compounds

methyl 2-morpholin-4-ylacetate
CID 1268178
1,4-bis[(4,4-dimethyl-2-oxooxolan-3-yl)oxy]-1,4-dioxobutane-2-sulfonate
CID 140586125
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-morpholin-4-ylacetate
CID 4689531
(8,8-diethyl-7,9-dioxo-6,10-dioxa-1,4-dithiaspiro[4.5]decan-3-yl) 2-morpholin-4-ylacetate
CID 54481795
1-morpholin-4-ylpropan-2-one;hydrochloride
CID 67491798
3-(4,4-dimethyl-2-oxooxolan-3-yl)oxysulfonylpropane-1-sulfonic acid
CID 75586194
(3-methyl-1-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-4-yl) 2-morpholin-4-ylacetate
CID 10473147
tert-butyl 2-[7,13,16-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,10-dioxa-4,7,13,16-tetrazacyclooctadec-4-yl]acetate;ethane
CID 156838383
1,3-dimorpholin-4-ylpropan-2-one
CID 139559066
[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-morpholin-4-ylacetate
CID 7420672
[5-oxo-6-(trifluoromethyl)-4-oxatricyclo[4.2.1.03,7]nonan-2-yl] 2-morpholin-4-ylacetate
CID 166930163
(E)-1-morpholin-4-ylpent-3-en-2-one
CID 146386174

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethyl-2-oxooxolan-3-yl) 2-morpholin-4-ylacetate?
The IUPAC name of (4,4-dimethyl-2-oxooxolan-3-yl) 2-morpholin-4-ylacetate (CID 170264942) is (4,4-dimethyl-2-oxooxolan-3-yl) 2-morpholin-4-ylacetate.
What is the SMILES notation for (4,4-dimethyl-2-oxooxolan-3-yl) 2-morpholin-4-ylacetate?
The canonical SMILES for (4,4-dimethyl-2-oxooxolan-3-yl) 2-morpholin-4-ylacetate is CC1(C)COC(=O)C1OC(=O)CN1CCOCC1.
What is the InChIKey of (4,4-dimethyl-2-oxooxolan-3-yl) 2-morpholin-4-ylacetate?
The InChIKey is UQGWIBPIVOYXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5/c1-12(2)8-17-11(15)10(12)18-9(14)7-13-3-5-16-6-4-13/h10H,3-8H2,1-2H3.
What are the key properties of (4,4-dimethyl-2-oxooxolan-3-yl) 2-morpholin-4-ylacetate?
(4,4-dimethyl-2-oxooxolan-3-yl) 2-morpholin-4-ylacetate has a molecular weight of 257.29 g/mol, XLogP of -0.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethyl-2-oxooxolan-3-yl) 2-morpholin-4-ylacetate is sourced from PubChem (CID 170264942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).