methyl 3-acetamido-4-hydroxybenzoate

C10H11NO4 — CID 22627207

IUPACmethyl 3-acetamido-4-hydroxybenzoate
SMILESCOC(=O)c1ccc(O)c(NC(C)=O)c1
InChIInChI=1S/C10H11NO4/c1-6(12)11-8-5-7(10(14)15-2)3-4-9(8)13/h3-5,13H,1-2H3,(H,11,12)
InChIKeyDGDFZZOBSYEQCJ-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.14
Rot. Bonds2

About methyl 3-acetamido-4-hydroxybenzoate

methyl 3-acetamido-4-hydroxybenzoate (PubChem CID 22627207) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is methyl 3-acetamido-4-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 3-acetamido-4-hydroxybenzoate
PubChem CID22627207
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Namemethyl 3-acetamido-4-hydroxybenzoate
SMILESCOC(=O)c1ccc(O)c(NC(C)=O)c1
InChIInChI=1S/C10H11NO4/c1-6(12)11-8-5-7(10(14)15-2)3-4-9(8)13/h3-5,13H,1-2H3,(H,11,12)
InChIKeyDGDFZZOBSYEQCJ-UHFFFAOYSA-N
XLogP1.14
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-acetamido-4-hydroxybenzoate?
The IUPAC name of methyl 3-acetamido-4-hydroxybenzoate (CID 22627207) is methyl 3-acetamido-4-hydroxybenzoate.
What is the SMILES notation for methyl 3-acetamido-4-hydroxybenzoate?
The canonical SMILES for methyl 3-acetamido-4-hydroxybenzoate is COC(=O)c1ccc(O)c(NC(C)=O)c1.
What is the InChIKey of methyl 3-acetamido-4-hydroxybenzoate?
The InChIKey is DGDFZZOBSYEQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-6(12)11-8-5-7(10(14)15-2)3-4-9(8)13/h3-5,13H,1-2H3,(H,11,12).
What are the key properties of methyl 3-acetamido-4-hydroxybenzoate?
methyl 3-acetamido-4-hydroxybenzoate has a molecular weight of 209.20 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-acetamido-4-hydroxybenzoate is sourced from PubChem (CID 22627207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).