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

C12H20N2O5 — CID 79807285

IUPACmethyl 2-[4-(3-acetamidopropanoyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)CCNC(C)=O)CCO1
InChIInChI=1S/C12H20N2O5/c1-9(15)13-4-3-11(16)14-5-6-19-10(8-14)7-12(17)18-2/h10H,3-8H2,1-2H3,(H,13,15)
InChIKeyICWYLFAPAPXGEL-UHFFFAOYSA-N
MW272.30 g/mol
LogP-0.70
Rot. Bonds5

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

methyl 2-[4-(3-acetamidopropanoyl)morpholin-2-yl]acetate (PubChem CID 79807285) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is methyl 2-[4-(3-acetamidopropanoyl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(3-acetamidopropanoyl)morpholin-2-yl]acetate
PubChem CID79807285
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Namemethyl 2-[4-(3-acetamidopropanoyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)CCNC(C)=O)CCO1
InChIInChI=1S/C12H20N2O5/c1-9(15)13-4-3-11(16)14-5-6-19-10(8-14)7-12(17)18-2/h10H,3-8H2,1-2H3,(H,13,15)
InChIKeyICWYLFAPAPXGEL-UHFFFAOYSA-N
XLogP-0.70
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[4-(3-acetamidopropanoyl)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

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-[2-(2-methoxyethylsulfanyl)acetyl]morpholin-2-yl]acetate
CID 79806978
methyl 2-[4-(2-methylcyclopropanecarbonyl)morpholin-2-yl]acetate
CID 79806979
methyl 2-[4-(cyclobutanecarbonyl)morpholin-2-yl]acetate
CID 79806815
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
N-[6-[(2R)-2-methylmorpholin-4-yl]-6-oxohexyl]acetamide
CID 94178807

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(3-acetamidopropanoyl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(3-acetamidopropanoyl)morpholin-2-yl]acetate (CID 79807285) is methyl 2-[4-(3-acetamidopropanoyl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(3-acetamidopropanoyl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(3-acetamidopropanoyl)morpholin-2-yl]acetate is COC(=O)CC1CN(C(=O)CCNC(C)=O)CCO1.
What is the InChIKey of methyl 2-[4-(3-acetamidopropanoyl)morpholin-2-yl]acetate?
The InChIKey is ICWYLFAPAPXGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-9(15)13-4-3-11(16)14-5-6-19-10(8-14)7-12(17)18-2/h10H,3-8H2,1-2H3,(H,13,15).
What are the key properties of methyl 2-[4-(3-acetamidopropanoyl)morpholin-2-yl]acetate?
methyl 2-[4-(3-acetamidopropanoyl)morpholin-2-yl]acetate has a molecular weight of 272.30 g/mol, XLogP of -0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(3-acetamidopropanoyl)morpholin-2-yl]acetate is sourced from PubChem (CID 79807285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).