methyl 2-[4-(cyclobutanecarbonyl)morpholin-2-yl]acetate

C12H19NO4 — CID 79806815

IUPACmethyl 2-[4-(cyclobutanecarbonyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)C2CCC2)CCO1
InChIInChI=1S/C12H19NO4/c1-16-11(14)7-10-8-13(5-6-17-10)12(15)9-3-2-4-9/h9-10H,2-8H2,1H3
InChIKeyYCBVGINDNKRLEO-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.58
Rot. Bonds3

About methyl 2-[4-(cyclobutanecarbonyl)morpholin-2-yl]acetate

methyl 2-[4-(cyclobutanecarbonyl)morpholin-2-yl]acetate (PubChem CID 79806815) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is methyl 2-[4-(cyclobutanecarbonyl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(cyclobutanecarbonyl)morpholin-2-yl]acetate
PubChem CID79806815
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Namemethyl 2-[4-(cyclobutanecarbonyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)C2CCC2)CCO1
InChIInChI=1S/C12H19NO4/c1-16-11(14)7-10-8-13(5-6-17-10)12(15)9-3-2-4-9/h9-10H,2-8H2,1H3
InChIKeyYCBVGINDNKRLEO-UHFFFAOYSA-N
XLogP0.58
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-(5-methyloxolane-3-carbonyl)morpholin-2-yl]acetate
CID 114826544
methyl 2-[4-(2-methylcyclopropanecarbonyl)morpholin-2-yl]acetate
CID 79806979
methyl 2-[4-(6-oxopiperidine-3-carbonyl)morpholin-2-yl]acetate
CID 79807210
1-[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]azetidine-3-carboxylic acid
CID 115535465
cyclopropyl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208707
cyclopropyl-[(2S)-2-(methylaminomethyl)morpholin-4-yl]methanone
CID 166684105
methyl 2-[4-(2,3-dimethylbutanoyl)morpholin-2-yl]acetate
CID 79806421
(2S)-1-[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 115535473
methyl 2-(4-cyclopentylmorpholin-2-yl)acetate
CID 115537752
2-methylpropyl 2-(2-methoxy-2-oxoethyl)morpholine-4-carboxylate
CID 113330714
2-[4-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]morpholin-2-yl]acetic acid
CID 119248813
methyl 2-[4-(1-carbamothioylcyclopropanecarbonyl)morpholin-2-yl]acetate
CID 115534737

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(cyclobutanecarbonyl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(cyclobutanecarbonyl)morpholin-2-yl]acetate (CID 79806815) is methyl 2-[4-(cyclobutanecarbonyl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(cyclobutanecarbonyl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(cyclobutanecarbonyl)morpholin-2-yl]acetate is COC(=O)CC1CN(C(=O)C2CCC2)CCO1.
What is the InChIKey of methyl 2-[4-(cyclobutanecarbonyl)morpholin-2-yl]acetate?
The InChIKey is YCBVGINDNKRLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-16-11(14)7-10-8-13(5-6-17-10)12(15)9-3-2-4-9/h9-10H,2-8H2,1H3.
What are the key properties of methyl 2-[4-(cyclobutanecarbonyl)morpholin-2-yl]acetate?
methyl 2-[4-(cyclobutanecarbonyl)morpholin-2-yl]acetate has a molecular weight of 241.29 g/mol, XLogP of 0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(cyclobutanecarbonyl)morpholin-2-yl]acetate is sourced from PubChem (CID 79806815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).