acetyl 4-acetamido-2-hydroxybenzoate

C11H11NO5 — CID 88771409

IUPACacetyl 4-acetamido-2-hydroxybenzoate
SMILESCC(=O)Nc1ccc(C(=O)OC(C)=O)c(O)c1
InChIInChI=1S/C11H11NO5/c1-6(13)12-8-3-4-9(10(15)5-8)11(16)17-7(2)14/h3-5,15H,1-2H3,(H,12,13)
InChIKeyZMNWFSGKHFCBPE-UHFFFAOYSA-N
MW237.21 g/mol
LogP1.05
Rot. Bonds2

About acetyl 4-acetamido-2-hydroxybenzoate

acetyl 4-acetamido-2-hydroxybenzoate (PubChem CID 88771409) has the molecular formula C11H11NO5 and a molecular weight of 237.21 g/mol. Its IUPAC name is acetyl 4-acetamido-2-hydroxybenzoate.

Molecular Properties

Compound Nameacetyl 4-acetamido-2-hydroxybenzoate
PubChem CID88771409
Molecular FormulaC11H11NO5
Molecular Weight237.21 g/mol
Exact Mass237.06
IUPAC Nameacetyl 4-acetamido-2-hydroxybenzoate
SMILESCC(=O)Nc1ccc(C(=O)OC(C)=O)c(O)c1
InChIInChI=1S/C11H11NO5/c1-6(13)12-8-3-4-9(10(15)5-8)11(16)17-7(2)14/h3-5,15H,1-2H3,(H,12,13)
InChIKeyZMNWFSGKHFCBPE-UHFFFAOYSA-N
XLogP1.05
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-acetamido-2-hydroxybenzoate
CID 11665741
N-[3-hydroxy-4-(2-methylpropanoyl)phenyl]acetamide
CID 39334526
N-[4-(acetamidocarbamoyl)-3-hydroxyphenyl]acetamide
CID 102522207
N-(4-benzoyl-3-hydroxyphenyl)acetamide
CID 611295
4-(4-acetamido-2-hydroxyphenyl)-4-oxobutanoic acid
CID 14910077
methyl 4-[(2-chloroacetyl)amino]-2-hydroxybenzoate
CID 83300739
N-(4-acetyl-3-methylphenyl)acetamide
CID 2737381
N-[4-(cyclohexanecarbonyl)-3-hydroxyphenyl]acetamide
CID 82044053
N-[4-[(E)-3-(dimethylamino)prop-2-enoyl]-3-hydroxyphenyl]acetamide
CID 30850442
calcium;acetyl 2-hydroxybenzoate;hydride
CID 173063515
methyl 2-hydroxy-4-(propoxycarbonylamino)benzoate
CID 139715221
N-[3-hydroxy-4-(hydroxymethyl)phenyl]acetamide
CID 162349141

Frequently Asked Questions

What is the IUPAC name of acetyl 4-acetamido-2-hydroxybenzoate?
The IUPAC name of acetyl 4-acetamido-2-hydroxybenzoate (CID 88771409) is acetyl 4-acetamido-2-hydroxybenzoate.
What is the SMILES notation for acetyl 4-acetamido-2-hydroxybenzoate?
The canonical SMILES for acetyl 4-acetamido-2-hydroxybenzoate is CC(=O)Nc1ccc(C(=O)OC(C)=O)c(O)c1.
What is the InChIKey of acetyl 4-acetamido-2-hydroxybenzoate?
The InChIKey is ZMNWFSGKHFCBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO5/c1-6(13)12-8-3-4-9(10(15)5-8)11(16)17-7(2)14/h3-5,15H,1-2H3,(H,12,13).
What are the key properties of acetyl 4-acetamido-2-hydroxybenzoate?
acetyl 4-acetamido-2-hydroxybenzoate has a molecular weight of 237.21 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl 4-acetamido-2-hydroxybenzoate is sourced from PubChem (CID 88771409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).