methyl 2-[4-(2,3-dimethylbutanoyl)morpholin-2-yl]acetate

C13H23NO4 — CID 79806421

IUPACmethyl 2-[4-(2,3-dimethylbutanoyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)C(C)C(C)C)CCO1
InChIInChI=1S/C13H23NO4/c1-9(2)10(3)13(16)14-5-6-18-11(8-14)7-12(15)17-4/h9-11H,5-8H2,1-4H3
InChIKeyGSDOCVUDUSOIAH-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.07
Rot. Bonds4

About methyl 2-[4-(2,3-dimethylbutanoyl)morpholin-2-yl]acetate

methyl 2-[4-(2,3-dimethylbutanoyl)morpholin-2-yl]acetate (PubChem CID 79806421) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is methyl 2-[4-(2,3-dimethylbutanoyl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(2,3-dimethylbutanoyl)morpholin-2-yl]acetate
PubChem CID79806421
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Namemethyl 2-[4-(2,3-dimethylbutanoyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)C(C)C(C)C)CCO1
InChIInChI=1S/C13H23NO4/c1-9(2)10(3)13(16)14-5-6-18-11(8-14)7-12(15)17-4/h9-11H,5-8H2,1-4H3
InChIKeyGSDOCVUDUSOIAH-UHFFFAOYSA-N
XLogP1.07
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-(2-carbamothioyl-3-methylbutanoyl)morpholin-2-yl]acetate
CID 115534739
methyl 2-[4-(2-bromobutanoyl)morpholin-2-yl]acetate
CID 115534261
2-methylpropyl 2-(2-methoxy-2-oxoethyl)morpholine-4-carboxylate
CID 113330714
(2R)-2-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-3-methylbutanoic acid
CID 115535493
methyl 2-[4-(2-methylcyclopropanecarbonyl)morpholin-2-yl]acetate
CID 79806979
methyl 2-[4-(cyclobutanecarbonyl)morpholin-2-yl]acetate
CID 79806815
1-[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]azetidine-3-carboxylic acid
CID 115535465
methyl 2-[4-(5-methyloxolane-3-carbonyl)morpholin-2-yl]acetate
CID 114826544
methyl 2-[4-(4-chlorobutanoyl)morpholin-2-yl]acetate
CID 115534258
6-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]-6-oxohexanoic acid
CID 115534065
methyl 2-(4-propan-2-ylsulfonylmorpholin-2-yl)acetate
CID 79769803
methyl 2-[4-(3-acetamidopropanoyl)morpholin-2-yl]acetate
CID 79807285

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2,3-dimethylbutanoyl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(2,3-dimethylbutanoyl)morpholin-2-yl]acetate (CID 79806421) is methyl 2-[4-(2,3-dimethylbutanoyl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(2,3-dimethylbutanoyl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(2,3-dimethylbutanoyl)morpholin-2-yl]acetate is COC(=O)CC1CN(C(=O)C(C)C(C)C)CCO1.
What is the InChIKey of methyl 2-[4-(2,3-dimethylbutanoyl)morpholin-2-yl]acetate?
The InChIKey is GSDOCVUDUSOIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-9(2)10(3)13(16)14-5-6-18-11(8-14)7-12(15)17-4/h9-11H,5-8H2,1-4H3.
What are the key properties of methyl 2-[4-(2,3-dimethylbutanoyl)morpholin-2-yl]acetate?
methyl 2-[4-(2,3-dimethylbutanoyl)morpholin-2-yl]acetate has a molecular weight of 257.33 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2,3-dimethylbutanoyl)morpholin-2-yl]acetate is sourced from PubChem (CID 79806421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).