2-(hydroxyamino)ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate

C8H13NO6 — CID 90070114

IUPAC2-(hydroxyamino)ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate
SMILESCC1(C(=O)OCCNO)COC(=O)OC1
InChIInChI=1S/C8H13NO6/c1-8(4-14-7(11)15-5-8)6(10)13-3-2-9-12/h9,12H,2-5H2,1H3
InChIKeyWYFCONSCGNRNAH-UHFFFAOYSA-N
MW219.19 g/mol
LogP-0.32
Rot. Bonds4

About 2-(hydroxyamino)ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate

2-(hydroxyamino)ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate (PubChem CID 90070114) has the molecular formula C8H13NO6 and a molecular weight of 219.19 g/mol. Its IUPAC name is 2-(hydroxyamino)ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate.

Molecular Properties

Compound Name2-(hydroxyamino)ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate
PubChem CID90070114
Molecular FormulaC8H13NO6
Molecular Weight219.19 g/mol
Exact Mass219.07
IUPAC Name2-(hydroxyamino)ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate
SMILESCC1(C(=O)OCCNO)COC(=O)OC1
InChIInChI=1S/C8H13NO6/c1-8(4-14-7(11)15-5-8)6(10)13-3-2-9-12/h9,12H,2-5H2,1H3
InChIKeyWYFCONSCGNRNAH-UHFFFAOYSA-N
XLogP-0.32
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxyamino)ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate?
The IUPAC name of 2-(hydroxyamino)ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate (CID 90070114) is 2-(hydroxyamino)ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate.
What is the SMILES notation for 2-(hydroxyamino)ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate?
The canonical SMILES for 2-(hydroxyamino)ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate is CC1(C(=O)OCCNO)COC(=O)OC1.
What is the InChIKey of 2-(hydroxyamino)ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate?
The InChIKey is WYFCONSCGNRNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO6/c1-8(4-14-7(11)15-5-8)6(10)13-3-2-9-12/h9,12H,2-5H2,1H3.
What are the key properties of 2-(hydroxyamino)ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate?
2-(hydroxyamino)ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate has a molecular weight of 219.19 g/mol, XLogP of -0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxyamino)ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate is sourced from PubChem (CID 90070114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).