oxolan-3-yl 2-(2-methoxyethylamino)acetate

C9H17NO4 — CID 79270563

IUPACoxolan-3-yl 2-(2-methoxyethylamino)acetate
SMILESCOCCNCC(=O)OC1CCOC1
InChIInChI=1S/C9H17NO4/c1-12-5-3-10-6-9(11)14-8-2-4-13-7-8/h8,10H,2-7H2,1H3
InChIKeyMAXVGUZBYDSMCK-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.45
Rot. Bonds6

About oxolan-3-yl 2-(2-methoxyethylamino)acetate

oxolan-3-yl 2-(2-methoxyethylamino)acetate (PubChem CID 79270563) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is oxolan-3-yl 2-(2-methoxyethylamino)acetate.

Molecular Properties

Compound Nameoxolan-3-yl 2-(2-methoxyethylamino)acetate
PubChem CID79270563
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Nameoxolan-3-yl 2-(2-methoxyethylamino)acetate
SMILESCOCCNCC(=O)OC1CCOC1
InChIInChI=1S/C9H17NO4/c1-12-5-3-10-6-9(11)14-8-2-4-13-7-8/h8,10H,2-7H2,1H3
InChIKeyMAXVGUZBYDSMCK-UHFFFAOYSA-N
XLogP-0.45
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze oxolan-3-yl 2-(2-methoxyethylamino)acetate 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 oxolan-3-yl 2-(2-methoxyethylamino)acetate?
The IUPAC name of oxolan-3-yl 2-(2-methoxyethylamino)acetate (CID 79270563) is oxolan-3-yl 2-(2-methoxyethylamino)acetate.
What is the SMILES notation for oxolan-3-yl 2-(2-methoxyethylamino)acetate?
The canonical SMILES for oxolan-3-yl 2-(2-methoxyethylamino)acetate is COCCNCC(=O)OC1CCOC1.
What is the InChIKey of oxolan-3-yl 2-(2-methoxyethylamino)acetate?
The InChIKey is MAXVGUZBYDSMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-12-5-3-10-6-9(11)14-8-2-4-13-7-8/h8,10H,2-7H2,1H3.
What are the key properties of oxolan-3-yl 2-(2-methoxyethylamino)acetate?
oxolan-3-yl 2-(2-methoxyethylamino)acetate has a molecular weight of 203.24 g/mol, XLogP of -0.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl 2-(2-methoxyethylamino)acetate is sourced from PubChem (CID 79270563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).