methyl 2-[5-(hydroxyamino)-2-nitrosophenoxy]acetate

C9H10N2O5 — CID 614655

IUPACmethyl 2-[5-(hydroxyamino)-2-nitrosophenoxy]acetate
SMILESCOC(=O)COc1cc(NO)ccc1N=O
InChIInChI=1S/C9H10N2O5/c1-15-9(12)5-16-8-4-6(10-13)2-3-7(8)11-14/h2-4,10,13H,5H2,1H3
InChIKeyDXYSFMOQIPVAAZ-UHFFFAOYSA-N
MW226.19 g/mol
LogP1.44
Rot. Bonds5

About methyl 2-[5-(hydroxyamino)-2-nitrosophenoxy]acetate

methyl 2-[5-(hydroxyamino)-2-nitrosophenoxy]acetate (PubChem CID 614655) has the molecular formula C9H10N2O5 and a molecular weight of 226.19 g/mol. Its IUPAC name is methyl 2-[5-(hydroxyamino)-2-nitrosophenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(hydroxyamino)-2-nitrosophenoxy]acetate
PubChem CID614655
Molecular FormulaC9H10N2O5
Molecular Weight226.19 g/mol
Exact Mass226.06
IUPAC Namemethyl 2-[5-(hydroxyamino)-2-nitrosophenoxy]acetate
SMILESCOC(=O)COc1cc(NO)ccc1N=O
InChIInChI=1S/C9H10N2O5/c1-15-9(12)5-16-8-4-6(10-13)2-3-7(8)11-14/h2-4,10,13H,5H2,1H3
InChIKeyDXYSFMOQIPVAAZ-UHFFFAOYSA-N
XLogP1.44
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(2,5-dimethylphenoxy)acetate
CID 729953
methyl 2-(2,4-difluorophenoxy)acetate
CID 23434554
methyl 2-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenoxy]acetate
CID 168637909
methyl 2-(2-fluoro-5-formylphenoxy)acetate
CID 168890908
methyl 2-(2-carbamoyl-5-chlorophenoxy)acetate
CID 47083412
methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 6420588
methyl 2-(5-bromo-2-methoxyphenoxy)acetate
CID 178201298
methyl 2-(5-amino-2-methylphenoxy)acetate
CID 43520245
methyl 2-[4-chloro-3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 5312098
CID 58544147
CID 58544147
methyl 2-(4-chloro-2-sulfamoylphenoxy)acetate
CID 70527537
methyl 4-amino-3-(2-methoxy-2-oxoethoxy)benzoate
CID 43380203

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(hydroxyamino)-2-nitrosophenoxy]acetate?
The IUPAC name of methyl 2-[5-(hydroxyamino)-2-nitrosophenoxy]acetate (CID 614655) is methyl 2-[5-(hydroxyamino)-2-nitrosophenoxy]acetate.
What is the SMILES notation for methyl 2-[5-(hydroxyamino)-2-nitrosophenoxy]acetate?
The canonical SMILES for methyl 2-[5-(hydroxyamino)-2-nitrosophenoxy]acetate is COC(=O)COc1cc(NO)ccc1N=O.
What is the InChIKey of methyl 2-[5-(hydroxyamino)-2-nitrosophenoxy]acetate?
The InChIKey is DXYSFMOQIPVAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O5/c1-15-9(12)5-16-8-4-6(10-13)2-3-7(8)11-14/h2-4,10,13H,5H2,1H3.
What are the key properties of methyl 2-[5-(hydroxyamino)-2-nitrosophenoxy]acetate?
methyl 2-[5-(hydroxyamino)-2-nitrosophenoxy]acetate has a molecular weight of 226.19 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(hydroxyamino)-2-nitrosophenoxy]acetate is sourced from PubChem (CID 614655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).