methyl 2-(N-formyl-4-hydroxyanilino)acetate

C10H11NO4 — CID 22630303

IUPACmethyl 2-(N-formyl-4-hydroxyanilino)acetate
SMILESCOC(=O)CN(C=O)c1ccc(O)cc1
InChIInChI=1S/C10H11NO4/c1-15-10(14)6-11(7-12)8-2-4-9(13)5-3-8/h2-5,7,13H,6H2,1H3
InChIKeyTVFMAWPDJTWJRA-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.53
Rot. Bonds4

About methyl 2-(N-formyl-4-hydroxyanilino)acetate

methyl 2-(N-formyl-4-hydroxyanilino)acetate (PubChem CID 22630303) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is methyl 2-(N-formyl-4-hydroxyanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(N-formyl-4-hydroxyanilino)acetate
PubChem CID22630303
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Namemethyl 2-(N-formyl-4-hydroxyanilino)acetate
SMILESCOC(=O)CN(C=O)c1ccc(O)cc1
InChIInChI=1S/C10H11NO4/c1-15-10(14)6-11(7-12)8-2-4-9(13)5-3-8/h2-5,7,13H,6H2,1H3
InChIKeyTVFMAWPDJTWJRA-UHFFFAOYSA-N
XLogP0.53
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(N-formyl-4-hydroxyanilino)acetate?
The IUPAC name of methyl 2-(N-formyl-4-hydroxyanilino)acetate (CID 22630303) is methyl 2-(N-formyl-4-hydroxyanilino)acetate.
What is the SMILES notation for methyl 2-(N-formyl-4-hydroxyanilino)acetate?
The canonical SMILES for methyl 2-(N-formyl-4-hydroxyanilino)acetate is COC(=O)CN(C=O)c1ccc(O)cc1.
What is the InChIKey of methyl 2-(N-formyl-4-hydroxyanilino)acetate?
The InChIKey is TVFMAWPDJTWJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-15-10(14)6-11(7-12)8-2-4-9(13)5-3-8/h2-5,7,13H,6H2,1H3.
What are the key properties of methyl 2-(N-formyl-4-hydroxyanilino)acetate?
methyl 2-(N-formyl-4-hydroxyanilino)acetate has a molecular weight of 209.20 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(N-formyl-4-hydroxyanilino)acetate is sourced from PubChem (CID 22630303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).