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

C8H15NO4 — CID 102606673

IUPACoxetan-3-yl 2-(2-methoxyethylamino)acetate
SMILESCOCCNCC(=O)OC1COC1
InChIInChI=1S/C8H15NO4/c1-11-3-2-9-4-8(10)13-7-5-12-6-7/h7,9H,2-6H2,1H3
InChIKeyOIFONKTXILDYAZ-UHFFFAOYSA-N
MW189.21 g/mol
LogP-0.84
Rot. Bonds6

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

oxetan-3-yl 2-(2-methoxyethylamino)acetate (PubChem CID 102606673) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is oxetan-3-yl 2-(2-methoxyethylamino)acetate.

Molecular Properties

Compound Nameoxetan-3-yl 2-(2-methoxyethylamino)acetate
PubChem CID102606673
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Nameoxetan-3-yl 2-(2-methoxyethylamino)acetate
SMILESCOCCNCC(=O)OC1COC1
InChIInChI=1S/C8H15NO4/c1-11-3-2-9-4-8(10)13-7-5-12-6-7/h7,9H,2-6H2,1H3
InChIKeyOIFONKTXILDYAZ-UHFFFAOYSA-N
XLogP-0.84
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.84
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 oxetan-3-yl 2-(2-methoxyethylamino)acetate?
The IUPAC name of oxetan-3-yl 2-(2-methoxyethylamino)acetate (CID 102606673) is oxetan-3-yl 2-(2-methoxyethylamino)acetate.
What is the SMILES notation for oxetan-3-yl 2-(2-methoxyethylamino)acetate?
The canonical SMILES for oxetan-3-yl 2-(2-methoxyethylamino)acetate is COCCNCC(=O)OC1COC1.
What is the InChIKey of oxetan-3-yl 2-(2-methoxyethylamino)acetate?
The InChIKey is OIFONKTXILDYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-11-3-2-9-4-8(10)13-7-5-12-6-7/h7,9H,2-6H2,1H3.
What are the key properties of oxetan-3-yl 2-(2-methoxyethylamino)acetate?
oxetan-3-yl 2-(2-methoxyethylamino)acetate has a molecular weight of 189.21 g/mol, XLogP of -0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-3-yl 2-(2-methoxyethylamino)acetate is sourced from PubChem (CID 102606673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).