ethyl 4-acetamido-2-hydroxybenzoate

C11H13NO4 — CID 11665741

IUPACethyl 4-acetamido-2-hydroxybenzoate
SMILESCCOC(=O)c1ccc(NC(C)=O)cc1O
InChIInChI=1S/C11H13NO4/c1-3-16-11(15)9-5-4-8(6-10(9)14)12-7(2)13/h4-6,14H,3H2,1-2H3,(H,12,13)
InChIKeyHHELDUHJNXALMI-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.53
Rot. Bonds3

About ethyl 4-acetamido-2-hydroxybenzoate

ethyl 4-acetamido-2-hydroxybenzoate (PubChem CID 11665741) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is ethyl 4-acetamido-2-hydroxybenzoate.

Molecular Properties

Compound Nameethyl 4-acetamido-2-hydroxybenzoate
PubChem CID11665741
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Nameethyl 4-acetamido-2-hydroxybenzoate
SMILESCCOC(=O)c1ccc(NC(C)=O)cc1O
InChIInChI=1S/C11H13NO4/c1-3-16-11(15)9-5-4-8(6-10(9)14)12-7(2)13/h4-6,14H,3H2,1-2H3,(H,12,13)
InChIKeyHHELDUHJNXALMI-UHFFFAOYSA-N
XLogP1.53
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-acetamido-2-aminobenzoate
CID 19006952
acetyl 4-acetamido-2-hydroxybenzoate
CID 88771409
ethyl 4-[[2-(diethylamino)acetyl]amino]-2-hydroxybenzoate;iodomethane
CID 23622666
ethyl 4-[[2-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)acetyl]amino]-2-hydroxybenzoate
CID 126208090
ethyl 4-acetamido-2-(4-chlorophenyl)benzoate
CID 139893211
ethyl 2-hydroxy-4-[[2-(4-methylimidazol-1-yl)acetyl]amino]benzoate
CID 155678483
[2-(4-acetamidophenyl)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 7567867
methyl 2-hydroxy-4-(propoxycarbonylamino)benzoate
CID 139715221
ethyl 3-acetamidobenzoate
CID 700589
ethyl 5-acetamido-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CID 131323291
N-[4-(acetamidocarbamoyl)-3-hydroxyphenyl]acetamide
CID 102522207
N-[3-hydroxy-4-(2-methylpropanoyl)phenyl]acetamide
CID 39334526

Frequently Asked Questions

What is the IUPAC name of ethyl 4-acetamido-2-hydroxybenzoate?
The IUPAC name of ethyl 4-acetamido-2-hydroxybenzoate (CID 11665741) is ethyl 4-acetamido-2-hydroxybenzoate.
What is the SMILES notation for ethyl 4-acetamido-2-hydroxybenzoate?
The canonical SMILES for ethyl 4-acetamido-2-hydroxybenzoate is CCOC(=O)c1ccc(NC(C)=O)cc1O.
What is the InChIKey of ethyl 4-acetamido-2-hydroxybenzoate?
The InChIKey is HHELDUHJNXALMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-3-16-11(15)9-5-4-8(6-10(9)14)12-7(2)13/h4-6,14H,3H2,1-2H3,(H,12,13).
What are the key properties of ethyl 4-acetamido-2-hydroxybenzoate?
ethyl 4-acetamido-2-hydroxybenzoate has a molecular weight of 223.23 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-acetamido-2-hydroxybenzoate is sourced from PubChem (CID 11665741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).