methyl 2-(hydroxyiminomethyl)-5-methoxybenzoate

C10H11NO4 — CID 164915529

IUPACmethyl 2-(hydroxyiminomethyl)-5-methoxybenzoate
SMILESCOC(=O)c1cc(OC)ccc1C=NO
InChIInChI=1S/C10H11NO4/c1-14-8-4-3-7(6-11-13)9(5-8)10(12)15-2/h3-6,13H,1-2H3
InChIKeyGNXHFVPVFJAMPR-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.29
Rot. Bonds3

About methyl 2-(hydroxyiminomethyl)-5-methoxybenzoate

methyl 2-(hydroxyiminomethyl)-5-methoxybenzoate (PubChem CID 164915529) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is methyl 2-(hydroxyiminomethyl)-5-methoxybenzoate.

Molecular Properties

Compound Namemethyl 2-(hydroxyiminomethyl)-5-methoxybenzoate
PubChem CID164915529
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Namemethyl 2-(hydroxyiminomethyl)-5-methoxybenzoate
SMILESCOC(=O)c1cc(OC)ccc1C=NO
InChIInChI=1S/C10H11NO4/c1-14-8-4-3-7(6-11-13)9(5-8)10(12)15-2/h3-6,13H,1-2H3
InChIKeyGNXHFVPVFJAMPR-UHFFFAOYSA-N
XLogP1.29
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl 2-(hydroxyiminomethyl)-5-methoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-amino-5-methoxybenzoate
CID 13052275
N-[(2,5-dimethoxyphenyl)methylidene]hydroxylamine
CID 2755791
methyl 2-ethyl-5-methoxybenzoate
CID 89096132
2-O-ethyl 1-O-methyl 4-methoxybenzene-1,2-dicarboxylate
CID 174563533
methyl 2-acetyloxy-5-methoxybenzoate
CID 131843602
methyl 4-methoxy-2-[(E)-2-(3-methoxyphenyl)ethenyl]benzoate
CID 139796545
methyl 2-ethenyl-5-ethoxybenzoate
CID 45094065
(NE)-N-[(4-methoxy-2-prop-2-enoxyphenyl)methylidene]hydroxylamine
CID 10584441
tert-butyl 2-ethenyl-5-methoxybenzoate
CID 172649027
methyl 2-chloro-5-(hydroxyiminomethyl)benzoate
CID 118418732
methyl 2-(dimethylaminomethylideneamino)-4-methoxybenzoate
CID 163274673
dimethyl 2-amino-5-methoxybenzene-1,3-dicarboxylate
CID 91737513

Frequently Asked Questions

What is the IUPAC name of methyl 2-(hydroxyiminomethyl)-5-methoxybenzoate?
The IUPAC name of methyl 2-(hydroxyiminomethyl)-5-methoxybenzoate (CID 164915529) is methyl 2-(hydroxyiminomethyl)-5-methoxybenzoate.
What is the SMILES notation for methyl 2-(hydroxyiminomethyl)-5-methoxybenzoate?
The canonical SMILES for methyl 2-(hydroxyiminomethyl)-5-methoxybenzoate is COC(=O)c1cc(OC)ccc1C=NO.
What is the InChIKey of methyl 2-(hydroxyiminomethyl)-5-methoxybenzoate?
The InChIKey is GNXHFVPVFJAMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-14-8-4-3-7(6-11-13)9(5-8)10(12)15-2/h3-6,13H,1-2H3.
What are the key properties of methyl 2-(hydroxyiminomethyl)-5-methoxybenzoate?
methyl 2-(hydroxyiminomethyl)-5-methoxybenzoate has a molecular weight of 209.20 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(hydroxyiminomethyl)-5-methoxybenzoate is sourced from PubChem (CID 164915529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).