ethyl 3-[(3-ethoxy-3-oxopropyl)-hydroxyamino]propanoate

C10H19NO5 — CID 11593841

IUPACethyl 3-[(3-ethoxy-3-oxopropyl)-hydroxyamino]propanoate
SMILESCCOC(=O)CCN(O)CCC(=O)OCC
InChIInChI=1S/C10H19NO5/c1-3-15-9(12)5-7-11(14)8-6-10(13)16-4-2/h14H,3-8H2,1-2H3
InChIKeyWRXLKELAAZOPSZ-UHFFFAOYSA-N
MW233.26 g/mol
LogP0.58
Rot. Bonds8

About ethyl 3-[(3-ethoxy-3-oxopropyl)-hydroxyamino]propanoate

ethyl 3-[(3-ethoxy-3-oxopropyl)-hydroxyamino]propanoate (PubChem CID 11593841) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is ethyl 3-[(3-ethoxy-3-oxopropyl)-hydroxyamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(3-ethoxy-3-oxopropyl)-hydroxyamino]propanoate
PubChem CID11593841
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Nameethyl 3-[(3-ethoxy-3-oxopropyl)-hydroxyamino]propanoate
SMILESCCOC(=O)CCN(O)CCC(=O)OCC
InChIInChI=1S/C10H19NO5/c1-3-15-9(12)5-7-11(14)8-6-10(13)16-4-2/h14H,3-8H2,1-2H3
InChIKeyWRXLKELAAZOPSZ-UHFFFAOYSA-N
XLogP0.58
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl 3-[(3-ethoxy-3-oxopropyl)-hydroxyamino]propanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3-ethoxy-3-oxopropyl)-hydroxyamino]propanoate?
The IUPAC name of ethyl 3-[(3-ethoxy-3-oxopropyl)-hydroxyamino]propanoate (CID 11593841) is ethyl 3-[(3-ethoxy-3-oxopropyl)-hydroxyamino]propanoate.
What is the SMILES notation for ethyl 3-[(3-ethoxy-3-oxopropyl)-hydroxyamino]propanoate?
The canonical SMILES for ethyl 3-[(3-ethoxy-3-oxopropyl)-hydroxyamino]propanoate is CCOC(=O)CCN(O)CCC(=O)OCC.
What is the InChIKey of ethyl 3-[(3-ethoxy-3-oxopropyl)-hydroxyamino]propanoate?
The InChIKey is WRXLKELAAZOPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5/c1-3-15-9(12)5-7-11(14)8-6-10(13)16-4-2/h14H,3-8H2,1-2H3.
What are the key properties of ethyl 3-[(3-ethoxy-3-oxopropyl)-hydroxyamino]propanoate?
ethyl 3-[(3-ethoxy-3-oxopropyl)-hydroxyamino]propanoate has a molecular weight of 233.26 g/mol, XLogP of 0.58, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3-ethoxy-3-oxopropyl)-hydroxyamino]propanoate is sourced from PubChem (CID 11593841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).