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

C12H19NO4 — CID 79806979

IUPACmethyl 2-[4-(2-methylcyclopropanecarbonyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)C2CC2C)CCO1
InChIInChI=1S/C12H19NO4/c1-8-5-10(8)12(15)13-3-4-17-9(7-13)6-11(14)16-2/h8-10H,3-7H2,1-2H3
InChIKeyNLKZODPXOPPTGT-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.43
Rot. Bonds3

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

methyl 2-[4-(2-methylcyclopropanecarbonyl)morpholin-2-yl]acetate (PubChem CID 79806979) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is methyl 2-[4-(2-methylcyclopropanecarbonyl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(2-methylcyclopropanecarbonyl)morpholin-2-yl]acetate
PubChem CID79806979
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Namemethyl 2-[4-(2-methylcyclopropanecarbonyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)C2CC2C)CCO1
InChIInChI=1S/C12H19NO4/c1-8-5-10(8)12(15)13-3-4-17-9(7-13)6-11(14)16-2/h8-10H,3-7H2,1-2H3
InChIKeyNLKZODPXOPPTGT-UHFFFAOYSA-N
XLogP0.43
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 ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(hydroxymethyl)morpholin-4-yl]-(2-methylcyclopropyl)methanone
CID 81208013
methyl 2-[4-(5-methyloxolane-3-carbonyl)morpholin-2-yl]acetate
CID 114826544
methyl 2-[4-(cyclobutanecarbonyl)morpholin-2-yl]acetate
CID 79806815
methyl 2-[4-(2,3-dimethylbutanoyl)morpholin-2-yl]acetate
CID 79806421
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
2-[2-(methoxymethyl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid
CID 120976260
methyl 2-[4-(2-bromobutanoyl)morpholin-2-yl]acetate
CID 115534261
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-(3-acetamidopropanoyl)morpholin-2-yl]acetate
CID 79807285
methyl 2-[4-(6-oxopiperidine-3-carbonyl)morpholin-2-yl]acetate
CID 79807210

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-methylcyclopropanecarbonyl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(2-methylcyclopropanecarbonyl)morpholin-2-yl]acetate (CID 79806979) is methyl 2-[4-(2-methylcyclopropanecarbonyl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(2-methylcyclopropanecarbonyl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(2-methylcyclopropanecarbonyl)morpholin-2-yl]acetate is COC(=O)CC1CN(C(=O)C2CC2C)CCO1.
What is the InChIKey of methyl 2-[4-(2-methylcyclopropanecarbonyl)morpholin-2-yl]acetate?
The InChIKey is NLKZODPXOPPTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-8-5-10(8)12(15)13-3-4-17-9(7-13)6-11(14)16-2/h8-10H,3-7H2,1-2H3.
What are the key properties of methyl 2-[4-(2-methylcyclopropanecarbonyl)morpholin-2-yl]acetate?
methyl 2-[4-(2-methylcyclopropanecarbonyl)morpholin-2-yl]acetate has a molecular weight of 241.29 g/mol, XLogP of 0.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2-methylcyclopropanecarbonyl)morpholin-2-yl]acetate is sourced from PubChem (CID 79806979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).