Ethyl ((3-(4-morpholinyl)propyl)amino)(oxo)acetate

C11H20N2O4 — CID 366851

IUPACethyl 2-(3-morpholin-4-ylpropylamino)-2-oxoacetate
SMILESCCOC(=O)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C11H20N2O4/c1-2-17-11(15)10(14)12-4-3-5-13-6-8-16-9-7-13/h2-9H2,1H3,(H,12,14)
InChIKeyLQCTTXATDYUYKR-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.20
Rot. Bonds7

About Ethyl ((3-(4-morpholinyl)propyl)amino)(oxo)acetate

Ethyl ((3-(4-morpholinyl)propyl)amino)(oxo)acetate (PubChem CID 366851) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is ethyl 2-(3-morpholin-4-ylpropylamino)-2-oxoacetate.

Molecular Properties

Compound NameEthyl ((3-(4-morpholinyl)propyl)amino)(oxo)acetate
PubChem CID366851
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Nameethyl 2-(3-morpholin-4-ylpropylamino)-2-oxoacetate
SMILESCCOC(=O)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C11H20N2O4/c1-2-17-11(15)10(14)12-4-3-5-13-6-8-16-9-7-13/h2-9H2,1H3,(H,12,14)
InChIKeyLQCTTXATDYUYKR-UHFFFAOYSA-N
XLogP0.20
TPSA67.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity252

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze Ethyl ((3-(4-morpholinyl)propyl)amino)(oxo)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

Ethyl 2-oxo-2-(piperazin-1-yl)acetate hydrochloride
CID 54594005
Ethyl {[2-(morpholin-4-YL)ethyl]carbamoyl}formate
CID 5152769
tert-butyl 2-{N-[(morpholin-2-yl)methyl]acetamido}acetate
CID 112756358
3,6-Dioxopiperazine-2,5-diyl diacetate
CID 337888
methyl (2R)-2-[[(2R)-4-acetyl-1-(2-methoxyacetyl)piperazine-2-carbonyl]amino]propanoate
CID 7663252
Ethyl 2-oxo-2-(piperazin-1-yl)acetate
CID 54594006
Oxalic acid, monoamide, n-propyl, propyl ester
CID 6420314
Oxalic acid, monoamide, n-butyl-, propyl ester
CID 6420822
Oxalic acid, monoamide, N-(3-(N-morpholinyl)propyl)-, hexyl ester
CID 6421815
Oxalic acid, monoamide, N-(3-(N-morpholinyl)propyl)-, isobutyl ester
CID 6421818
Oxalic acid, monoamide, N-(3-(N-morpholinyl)propyl)-, butyl ester
CID 6421819
Oxalic acid, monoamide, N-(3-(N-morpholinyl)propyl)-, pentyl ester
CID 6421826

Frequently Asked Questions

What is the IUPAC name of Ethyl ((3-(4-morpholinyl)propyl)amino)(oxo)acetate?
The IUPAC name of Ethyl ((3-(4-morpholinyl)propyl)amino)(oxo)acetate (CID 366851) is ethyl 2-(3-morpholin-4-ylpropylamino)-2-oxoacetate.
What is the SMILES notation for Ethyl ((3-(4-morpholinyl)propyl)amino)(oxo)acetate?
The canonical SMILES for Ethyl ((3-(4-morpholinyl)propyl)amino)(oxo)acetate is CCOC(=O)C(=O)NCCCN1CCOCC1.
What is the InChIKey of Ethyl ((3-(4-morpholinyl)propyl)amino)(oxo)acetate?
The InChIKey is LQCTTXATDYUYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-2-17-11(15)10(14)12-4-3-5-13-6-8-16-9-7-13/h2-9H2,1H3,(H,12,14).
What are the key properties of Ethyl ((3-(4-morpholinyl)propyl)amino)(oxo)acetate?
Ethyl ((3-(4-morpholinyl)propyl)amino)(oxo)acetate has a molecular weight of 244.29 g/mol, XLogP of 0.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Ethyl ((3-(4-morpholinyl)propyl)amino)(oxo)acetate is sourced from PubChem (CID 366851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).