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

C11H18ClNO4 — CID 115534258

IUPACmethyl 2-[4-(4-chlorobutanoyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)CCCCl)CCO1
InChIInChI=1S/C11H18ClNO4/c1-16-11(15)7-9-8-13(5-6-17-9)10(14)3-2-4-12/h9H,2-8H2,1H3
InChIKeyVXMNMQMQLMLEKI-UHFFFAOYSA-N
MW263.72 g/mol
LogP0.80
Rot. Bonds5

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

methyl 2-[4-(4-chlorobutanoyl)morpholin-2-yl]acetate (PubChem CID 115534258) has the molecular formula C11H18ClNO4 and a molecular weight of 263.72 g/mol. Its IUPAC name is methyl 2-[4-(4-chlorobutanoyl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(4-chlorobutanoyl)morpholin-2-yl]acetate
PubChem CID115534258
Molecular FormulaC11H18ClNO4
Molecular Weight263.72 g/mol
Exact Mass263.09
IUPAC Namemethyl 2-[4-(4-chlorobutanoyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)CCCCl)CCO1
InChIInChI=1S/C11H18ClNO4/c1-16-11(15)7-9-8-13(5-6-17-9)10(14)3-2-4-12/h9H,2-8H2,1H3
InChIKeyVXMNMQMQLMLEKI-UHFFFAOYSA-N
XLogP0.80
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze methyl 2-[4-(4-chlorobutanoyl)morpholin-2-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[2-(2-methoxyethylsulfanyl)acetyl]morpholin-2-yl]acetate
CID 79806978
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
methyl 2-[4-[2-(4-methylphenyl)acetyl]morpholin-2-yl]acetate
CID 79813124
methyl 2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetate
CID 79812518
2-methylpropyl 2-(2-methoxy-2-oxoethyl)morpholine-4-carboxylate
CID 113330714
1-[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]azetidine-3-carboxylic acid
CID 115535465
methyl 2-[4-(2-pyridin-4-ylacetyl)morpholin-2-yl]acetate
CID 115535926
1-[2-(chloromethyl)morpholin-4-yl]butan-1-one
CID 81210002

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(4-chlorobutanoyl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(4-chlorobutanoyl)morpholin-2-yl]acetate (CID 115534258) is methyl 2-[4-(4-chlorobutanoyl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(4-chlorobutanoyl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(4-chlorobutanoyl)morpholin-2-yl]acetate is COC(=O)CC1CN(C(=O)CCCCl)CCO1.
What is the InChIKey of methyl 2-[4-(4-chlorobutanoyl)morpholin-2-yl]acetate?
The InChIKey is VXMNMQMQLMLEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNO4/c1-16-11(15)7-9-8-13(5-6-17-9)10(14)3-2-4-12/h9H,2-8H2,1H3.
What are the key properties of methyl 2-[4-(4-chlorobutanoyl)morpholin-2-yl]acetate?
methyl 2-[4-(4-chlorobutanoyl)morpholin-2-yl]acetate has a molecular weight of 263.72 g/mol, XLogP of 0.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(4-chlorobutanoyl)morpholin-2-yl]acetate is sourced from PubChem (CID 115534258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).