methyl 2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetate

C10H11NO4 — CID 137304074

IUPACmethyl 2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetate
SMILESCOC(=O)CO/N=C/c1ccccc1O
InChIInChI=1S/C10H11NO4/c1-14-10(13)7-15-11-6-8-4-2-3-5-9(8)12/h2-6,12H,7H2,1H3/b11-6+
InChIKeyMLWSRIWMRJVUPO-IZZDOVSWSA-N
MW209.20 g/mol
LogP0.92
Rot. Bonds4

About methyl 2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetate

methyl 2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetate (PubChem CID 137304074) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is methyl 2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetate
PubChem CID137304074
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Namemethyl 2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetate
SMILESCOC(=O)CO/N=C/c1ccccc1O
InChIInChI=1S/C10H11NO4/c1-14-10(13)7-15-11-6-8-4-2-3-5-9(8)12/h2-6,12H,7H2,1H3/b11-6+
InChIKeyMLWSRIWMRJVUPO-IZZDOVSWSA-N
XLogP0.92
TPSA68.12 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 ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(E)-(4-bromophenyl)methylideneamino]oxyacetate
CID 23004808
2-bromo-N'-[2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetyl]benzohydrazide
CID 135588695
3,6-bis[(E)-2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyethoxyiminomethyl]benzene-1,2-diol
CID 139118549
N-[1-[4-[[2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetyl]amino]phenyl]ethylideneamino]benzamide
CID 135607011
[(E)-(2-hydroxyphenyl)methylideneamino] benzoate
CID 135684142
methyl 2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanoate
CID 136898417
2-[(2-bromophenyl)methylideneamino]oxyacetic acid
CID 2336636
methyl 2-[(2-hydroxyphenyl)methylideneamino]propanoate
CID 135433741
2-[(2,3,4,5,6-pentafluorophenyl)methoxyiminomethyl]phenol
CID 136663914
N-[(2R)-butan-2-yl]-2-[(Z)-(2-methoxyphenyl)methylideneamino]oxyacetamide
CID 7664433
tert-butyl 2-[(E)-(2-phenoxyphenyl)methylideneamino]oxyethaneperoxoate
CID 10545313
2-(naphthalen-1-ylmethylideneamino)oxyacetic acid
CID 78953890

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetate?
The IUPAC name of methyl 2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetate (CID 137304074) is methyl 2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetate.
What is the SMILES notation for methyl 2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetate?
The canonical SMILES for methyl 2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetate is COC(=O)CO/N=C/c1ccccc1O.
What is the InChIKey of methyl 2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetate?
The InChIKey is MLWSRIWMRJVUPO-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H11NO4/c1-14-10(13)7-15-11-6-8-4-2-3-5-9(8)12/h2-6,12H,7H2,1H3/b11-6+.
What are the key properties of methyl 2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetate?
methyl 2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetate has a molecular weight of 209.20 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetate is sourced from PubChem (CID 137304074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).