methyl 2-[2-(aminooxymethyl)phenyl]-2-oxoacetate

C10H11NO4 — CID 139974015

IUPACmethyl 2-[2-(aminooxymethyl)phenyl]-2-oxoacetate
SMILESCOC(=O)C(=O)c1ccccc1CON
InChIInChI=1S/C10H11NO4/c1-14-10(13)9(12)8-5-3-2-4-7(8)6-15-11/h2-5H,6,11H2,1H3
InChIKeyZTEBJLSVOPAHTQ-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.43
Rot. Bonds4

About methyl 2-[2-(aminooxymethyl)phenyl]-2-oxoacetate

methyl 2-[2-(aminooxymethyl)phenyl]-2-oxoacetate (PubChem CID 139974015) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is methyl 2-[2-(aminooxymethyl)phenyl]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[2-(aminooxymethyl)phenyl]-2-oxoacetate
PubChem CID139974015
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Namemethyl 2-[2-(aminooxymethyl)phenyl]-2-oxoacetate
SMILESCOC(=O)C(=O)c1ccccc1CON
InChIInChI=1S/C10H11NO4/c1-14-10(13)9(12)8-5-3-2-4-7(8)6-15-11/h2-5H,6,11H2,1H3
InChIKeyZTEBJLSVOPAHTQ-UHFFFAOYSA-N
XLogP0.43
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[2-(chloromethyl)phenyl]-2-oxoacetate
CID 14697243
methyl 2-[2-[(dimethylamino)methyl]phenyl]-2-oxoacetate
CID 22446584
methyl 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-oxoacetate
CID 11141051
methyl 2-(2-bromophenyl)-2-oxoacetate
CID 10890094
methyl 2-[2-hydroxy-3-(2-methoxy-2-oxoacetyl)phenyl]-2-oxoacetate
CID 57384101
ethyl 2-[2-(aminomethyl)phenyl]-2-oxoacetate
CID 174607647
methyl 2-(2-methylsulfanylphenyl)-2-oxoacetate
CID 14145191
methyl 2-(propanoyloxymethyl)benzoate
CID 20717774
2-(methoxymethyl)-N-methylbenzamide
CID 60753373
2-O-[(2-fluorophenyl)methyl] 1-O-methyl oxalate
CID 175695991
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methyl 2-[2-[2-(1,5-dimethyl-2H-pyrazin-3-yl)-2-oxoethyl]phenyl]-2-oxoacetate
CID 54185566

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(aminooxymethyl)phenyl]-2-oxoacetate?
The IUPAC name of methyl 2-[2-(aminooxymethyl)phenyl]-2-oxoacetate (CID 139974015) is methyl 2-[2-(aminooxymethyl)phenyl]-2-oxoacetate.
What is the SMILES notation for methyl 2-[2-(aminooxymethyl)phenyl]-2-oxoacetate?
The canonical SMILES for methyl 2-[2-(aminooxymethyl)phenyl]-2-oxoacetate is COC(=O)C(=O)c1ccccc1CON.
What is the InChIKey of methyl 2-[2-(aminooxymethyl)phenyl]-2-oxoacetate?
The InChIKey is ZTEBJLSVOPAHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-14-10(13)9(12)8-5-3-2-4-7(8)6-15-11/h2-5H,6,11H2,1H3.
What are the key properties of methyl 2-[2-(aminooxymethyl)phenyl]-2-oxoacetate?
methyl 2-[2-(aminooxymethyl)phenyl]-2-oxoacetate has a molecular weight of 209.20 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(aminooxymethyl)phenyl]-2-oxoacetate is sourced from PubChem (CID 139974015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).