ethyl 2-[2-(oxan-4-yl)ethylamino]-2-oxoacetate

C11H19NO4 — CID 115142074

IUPACethyl 2-[2-(oxan-4-yl)ethylamino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NCCC1CCOCC1
InChIInChI=1S/C11H19NO4/c1-2-16-11(14)10(13)12-6-3-9-4-7-15-8-5-9/h9H,2-8H2,1H3,(H,12,13)
InChIKeyWFCJNZNOTWOHAQ-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.48
Rot. Bonds4

About ethyl 2-[2-(oxan-4-yl)ethylamino]-2-oxoacetate

ethyl 2-[2-(oxan-4-yl)ethylamino]-2-oxoacetate (PubChem CID 115142074) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is ethyl 2-[2-(oxan-4-yl)ethylamino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[2-(oxan-4-yl)ethylamino]-2-oxoacetate
PubChem CID115142074
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Nameethyl 2-[2-(oxan-4-yl)ethylamino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NCCC1CCOCC1
InChIInChI=1S/C11H19NO4/c1-2-16-11(14)10(13)12-6-3-9-4-7-15-8-5-9/h9H,2-8H2,1H3,(H,12,13)
InChIKeyWFCJNZNOTWOHAQ-UHFFFAOYSA-N
XLogP0.48
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-[2-(oxan-4-yl)ethylamino]-2-oxoacetate 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-[2-(1-methylpiperidin-4-yl)ethylamino]-2-oxoacetate
CID 114516531
2-(oxan-4-yl)ethylurea
CID 68798130
ethyl 2-[2-(1-methylpiperidin-3-yl)ethylamino]-2-oxoacetate
CID 115142076
4-(aminomethyl)-N-[2-(oxan-4-yl)ethyl]cyclohexane-1-carboxamide
CID 115151067
ethyl 2-[12-[(2-ethoxy-2-oxoacetyl)amino]dodecylamino]-2-oxoacetate
CID 102308082
2-(methylamino)-N-[2-(oxan-4-yl)ethyl]acetamide
CID 115152043
1-amino-N-[2-(oxan-4-yl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119724786
ethyl 2-oxo-2-[(4-propylcyclohexyl)amino]acetate
CID 54963755
diethyl 2-[2-(oxan-4-yl)ethoxy]propanedioate
CID 67554415
2-(methylaminomethyl)-N-[2-(oxan-4-yl)ethyl]butanamide
CID 115188973
ethyl 3-(oxan-4-ylmethylcarbamoylamino)propanoate
CID 108913003
ethyl 2-[2-(oxolan-3-yl)ethylamino]acetate
CID 107095448

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(oxan-4-yl)ethylamino]-2-oxoacetate?
The IUPAC name of ethyl 2-[2-(oxan-4-yl)ethylamino]-2-oxoacetate (CID 115142074) is ethyl 2-[2-(oxan-4-yl)ethylamino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[2-(oxan-4-yl)ethylamino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[2-(oxan-4-yl)ethylamino]-2-oxoacetate is CCOC(=O)C(=O)NCCC1CCOCC1.
What is the InChIKey of ethyl 2-[2-(oxan-4-yl)ethylamino]-2-oxoacetate?
The InChIKey is WFCJNZNOTWOHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-2-16-11(14)10(13)12-6-3-9-4-7-15-8-5-9/h9H,2-8H2,1H3,(H,12,13).
What are the key properties of ethyl 2-[2-(oxan-4-yl)ethylamino]-2-oxoacetate?
ethyl 2-[2-(oxan-4-yl)ethylamino]-2-oxoacetate has a molecular weight of 229.28 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(oxan-4-yl)ethylamino]-2-oxoacetate is sourced from PubChem (CID 115142074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).