methyl 2-[4-(5-methyloxolane-3-carbonyl)morpholin-2-yl]acetate

C13H21NO5 — CID 114826544

IUPACmethyl 2-[4-(5-methyloxolane-3-carbonyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)C2COC(C)C2)CCO1
InChIInChI=1S/C13H21NO5/c1-9-5-10(8-19-9)13(16)14-3-4-18-11(7-14)6-12(15)17-2/h9-11H,3-8H2,1-2H3
InChIKeyXDDJFUKKECXWDA-UHFFFAOYSA-N
MW271.31 g/mol
LogP0.20
Rot. Bonds3

About methyl 2-[4-(5-methyloxolane-3-carbonyl)morpholin-2-yl]acetate

methyl 2-[4-(5-methyloxolane-3-carbonyl)morpholin-2-yl]acetate (PubChem CID 114826544) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is methyl 2-[4-(5-methyloxolane-3-carbonyl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(5-methyloxolane-3-carbonyl)morpholin-2-yl]acetate
PubChem CID114826544
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Namemethyl 2-[4-(5-methyloxolane-3-carbonyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)C2COC(C)C2)CCO1
InChIInChI=1S/C13H21NO5/c1-9-5-10(8-19-9)13(16)14-3-4-18-11(7-14)6-12(15)17-2/h9-11H,3-8H2,1-2H3
InChIKeyXDDJFUKKECXWDA-UHFFFAOYSA-N
XLogP0.20
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-(cyclobutanecarbonyl)morpholin-2-yl]acetate
CID 79806815
methyl 2-[4-(2-methylcyclopropanecarbonyl)morpholin-2-yl]acetate
CID 79806979
methyl 2-[4-(2,3-dimethylbutanoyl)morpholin-2-yl]acetate
CID 79806421
(5-methyloxolan-3-yl)-morpholin-4-ylmethanone
CID 114826121
methyl 2-[4-(6-oxopiperidine-3-carbonyl)morpholin-2-yl]acetate
CID 79807210
(3-methylazetidin-1-yl)-(5-methyloxolan-3-yl)methanone
CID 130634223
1-[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]azetidine-3-carboxylic acid
CID 115535465
2-methylpropyl 2-(2-methoxy-2-oxoethyl)morpholine-4-carboxylate
CID 113330714
(5-methyloxolan-3-yl)-piperidin-1-ylmethanone
CID 114826120
[(3S)-3-hydroxypyrrolidin-1-yl]-(5-methyloxolan-3-yl)methanone
CID 104979230
6-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]-6-oxohexanoic acid
CID 115534065
methyl 2-[4-(2-bromobutanoyl)morpholin-2-yl]acetate
CID 115534261

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(5-methyloxolane-3-carbonyl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(5-methyloxolane-3-carbonyl)morpholin-2-yl]acetate (CID 114826544) is methyl 2-[4-(5-methyloxolane-3-carbonyl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(5-methyloxolane-3-carbonyl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(5-methyloxolane-3-carbonyl)morpholin-2-yl]acetate is COC(=O)CC1CN(C(=O)C2COC(C)C2)CCO1.
What is the InChIKey of methyl 2-[4-(5-methyloxolane-3-carbonyl)morpholin-2-yl]acetate?
The InChIKey is XDDJFUKKECXWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5/c1-9-5-10(8-19-9)13(16)14-3-4-18-11(7-14)6-12(15)17-2/h9-11H,3-8H2,1-2H3.
What are the key properties of methyl 2-[4-(5-methyloxolane-3-carbonyl)morpholin-2-yl]acetate?
methyl 2-[4-(5-methyloxolane-3-carbonyl)morpholin-2-yl]acetate has a molecular weight of 271.31 g/mol, XLogP of 0.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(5-methyloxolane-3-carbonyl)morpholin-2-yl]acetate is sourced from PubChem (CID 114826544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).