5-acetamido-3-ethyl-2-(hydroxymethyl)-6-(methoxymethyl)oxan-4-olate

C12H22NO5- — CID 20596713

IUPAC5-acetamido-3-ethyl-2-(hydroxymethyl)-6-(methoxymethyl)oxan-4-olate
SMILESCCC1C(CO)OC(COC)C(NC(C)=O)C1[O-]
InChIInChI=1S/C12H22NO5/c1-4-8-9(5-14)18-10(6-17-3)11(12(8)16)13-7(2)15/h8-12,14H,4-6H2,1-3H3,(H,13,15)/q-1
InChIKeyQQUCCVOXHLWLQF-UHFFFAOYSA-N
MW260.31 g/mol
LogP-1.35
Rot. Bonds5

About 5-acetamido-3-ethyl-2-(hydroxymethyl)-6-(methoxymethyl)oxan-4-olate

5-acetamido-3-ethyl-2-(hydroxymethyl)-6-(methoxymethyl)oxan-4-olate (PubChem CID 20596713) has the molecular formula C12H22NO5- and a molecular weight of 260.31 g/mol. Its IUPAC name is 5-acetamido-3-ethyl-2-(hydroxymethyl)-6-(methoxymethyl)oxan-4-olate.

Molecular Properties

Compound Name5-acetamido-3-ethyl-2-(hydroxymethyl)-6-(methoxymethyl)oxan-4-olate
PubChem CID20596713
Molecular FormulaC12H22NO5-
Molecular Weight260.31 g/mol
Exact Mass260.15
IUPAC Name5-acetamido-3-ethyl-2-(hydroxymethyl)-6-(methoxymethyl)oxan-4-olate
SMILESCCC1C(CO)OC(COC)C(NC(C)=O)C1[O-]
InChIInChI=1S/C12H22NO5/c1-4-8-9(5-14)18-10(6-17-3)11(12(8)16)13-7(2)15/h8-12,14H,4-6H2,1-3H3,(H,13,15)/q-1
InChIKeyQQUCCVOXHLWLQF-UHFFFAOYSA-N
XLogP-1.35
TPSA90.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 5-1.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetamido-3-ethyl-2-(hydroxymethyl)-6-(methoxymethyl)oxan-4-olate?
The IUPAC name of 5-acetamido-3-ethyl-2-(hydroxymethyl)-6-(methoxymethyl)oxan-4-olate (CID 20596713) is 5-acetamido-3-ethyl-2-(hydroxymethyl)-6-(methoxymethyl)oxan-4-olate.
What is the SMILES notation for 5-acetamido-3-ethyl-2-(hydroxymethyl)-6-(methoxymethyl)oxan-4-olate?
The canonical SMILES for 5-acetamido-3-ethyl-2-(hydroxymethyl)-6-(methoxymethyl)oxan-4-olate is CCC1C(CO)OC(COC)C(NC(C)=O)C1[O-].
What is the InChIKey of 5-acetamido-3-ethyl-2-(hydroxymethyl)-6-(methoxymethyl)oxan-4-olate?
The InChIKey is QQUCCVOXHLWLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22NO5/c1-4-8-9(5-14)18-10(6-17-3)11(12(8)16)13-7(2)15/h8-12,14H,4-6H2,1-3H3,(H,13,15)/q-1.
What are the key properties of 5-acetamido-3-ethyl-2-(hydroxymethyl)-6-(methoxymethyl)oxan-4-olate?
5-acetamido-3-ethyl-2-(hydroxymethyl)-6-(methoxymethyl)oxan-4-olate has a molecular weight of 260.31 g/mol, XLogP of -1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-3-ethyl-2-(hydroxymethyl)-6-(methoxymethyl)oxan-4-olate is sourced from PubChem (CID 20596713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).