oxan-4-yl 2-(2-methoxyethylamino)acetate

C10H19NO4 — CID 79272604

IUPACoxan-4-yl 2-(2-methoxyethylamino)acetate
SMILESCOCCNCC(=O)OC1CCOCC1
InChIInChI=1S/C10H19NO4/c1-13-7-4-11-8-10(12)15-9-2-5-14-6-3-9/h9,11H,2-8H2,1H3
InChIKeyRNZRUURMFLTLCO-UHFFFAOYSA-N
MW217.26 g/mol
LogP-0.06
Rot. Bonds6

About oxan-4-yl 2-(2-methoxyethylamino)acetate

oxan-4-yl 2-(2-methoxyethylamino)acetate (PubChem CID 79272604) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is oxan-4-yl 2-(2-methoxyethylamino)acetate.

Molecular Properties

Compound Nameoxan-4-yl 2-(2-methoxyethylamino)acetate
PubChem CID79272604
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Nameoxan-4-yl 2-(2-methoxyethylamino)acetate
SMILESCOCCNCC(=O)OC1CCOCC1
InChIInChI=1S/C10H19NO4/c1-13-7-4-11-8-10(12)15-9-2-5-14-6-3-9/h9,11H,2-8H2,1H3
InChIKeyRNZRUURMFLTLCO-UHFFFAOYSA-N
XLogP-0.06
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxan-4-yl 2-(2-methoxyethylamino)acetate?
The IUPAC name of oxan-4-yl 2-(2-methoxyethylamino)acetate (CID 79272604) is oxan-4-yl 2-(2-methoxyethylamino)acetate.
What is the SMILES notation for oxan-4-yl 2-(2-methoxyethylamino)acetate?
The canonical SMILES for oxan-4-yl 2-(2-methoxyethylamino)acetate is COCCNCC(=O)OC1CCOCC1.
What is the InChIKey of oxan-4-yl 2-(2-methoxyethylamino)acetate?
The InChIKey is RNZRUURMFLTLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-13-7-4-11-8-10(12)15-9-2-5-14-6-3-9/h9,11H,2-8H2,1H3.
What are the key properties of oxan-4-yl 2-(2-methoxyethylamino)acetate?
oxan-4-yl 2-(2-methoxyethylamino)acetate has a molecular weight of 217.26 g/mol, XLogP of -0.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl 2-(2-methoxyethylamino)acetate is sourced from PubChem (CID 79272604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).