methyl 2-aminooxy-2-(2-methoxyphenyl)acetate

C10H13NO4 — CID 105464749

IUPACmethyl 2-aminooxy-2-(2-methoxyphenyl)acetate
SMILESCOC(=O)C(ON)c1ccccc1OC
InChIInChI=1S/C10H13NO4/c1-13-8-6-4-3-5-7(8)9(15-11)10(12)14-2/h3-6,9H,11H2,1-2H3
InChIKeyGWHHZOHUHDFOSI-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.80
Rot. Bonds4

About methyl 2-aminooxy-2-(2-methoxyphenyl)acetate

methyl 2-aminooxy-2-(2-methoxyphenyl)acetate (PubChem CID 105464749) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is methyl 2-aminooxy-2-(2-methoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-aminooxy-2-(2-methoxyphenyl)acetate
PubChem CID105464749
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Namemethyl 2-aminooxy-2-(2-methoxyphenyl)acetate
SMILESCOC(=O)C(ON)c1ccccc1OC
InChIInChI=1S/C10H13NO4/c1-13-8-6-4-3-5-7(8)9(15-11)10(12)14-2/h3-6,9H,11H2,1-2H3
InChIKeyGWHHZOHUHDFOSI-UHFFFAOYSA-N
XLogP0.80
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-(2-methoxyphenyl)propanoate
CID 12867082
methyl (2S,3R)-2-amino-3-hydroxy-3-(2-methoxyphenyl)propanoate
CID 11780290
methyl 3-(2-methoxyphenyl)-2-methylbutanoate
CID 121339404
methyl 3-hydroxy-2-(2-methoxyphenyl)propanoate
CID 117244498
methyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate
CID 81396743
methyl 2-(2-methoxyphenyl)-4-methylpentanoate
CID 112508329
methyl 2-[hydroxy-(2-methoxyphenyl)methyl]-3-methylbutanoate
CID 62393869
methyl 2-hydroxy-2-(3-methoxy-2-propan-2-ylphenyl)acetate
CID 117349063
methyl 3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate
CID 81387841
methyl 3-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate
CID 81387774
2-chloro-2-(2-methoxyphenyl)-N-propan-2-ylacetamide
CID 62224229
O-[(2-methoxyphenyl)-phenylmethyl]hydroxylamine
CID 155511362

Frequently Asked Questions

What is the IUPAC name of methyl 2-aminooxy-2-(2-methoxyphenyl)acetate?
The IUPAC name of methyl 2-aminooxy-2-(2-methoxyphenyl)acetate (CID 105464749) is methyl 2-aminooxy-2-(2-methoxyphenyl)acetate.
What is the SMILES notation for methyl 2-aminooxy-2-(2-methoxyphenyl)acetate?
The canonical SMILES for methyl 2-aminooxy-2-(2-methoxyphenyl)acetate is COC(=O)C(ON)c1ccccc1OC.
What is the InChIKey of methyl 2-aminooxy-2-(2-methoxyphenyl)acetate?
The InChIKey is GWHHZOHUHDFOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-13-8-6-4-3-5-7(8)9(15-11)10(12)14-2/h3-6,9H,11H2,1-2H3.
What are the key properties of methyl 2-aminooxy-2-(2-methoxyphenyl)acetate?
methyl 2-aminooxy-2-(2-methoxyphenyl)acetate has a molecular weight of 211.22 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-aminooxy-2-(2-methoxyphenyl)acetate is sourced from PubChem (CID 105464749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).