ethyl 2-acetyloxy-4-aminobenzoate

C11H13NO4 — CID 90384758

IUPACethyl 2-acetyloxy-4-aminobenzoate
SMILESCCOC(=O)c1ccc(N)cc1OC(C)=O
InChIInChI=1S/C11H13NO4/c1-3-15-11(14)9-5-4-8(12)6-10(9)16-7(2)13/h4-6H,3,12H2,1-2H3
InChIKeyMUEGYQPYIVZXEG-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.37
Rot. Bonds3

About ethyl 2-acetyloxy-4-aminobenzoate

ethyl 2-acetyloxy-4-aminobenzoate (PubChem CID 90384758) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is ethyl 2-acetyloxy-4-aminobenzoate.

Molecular Properties

Compound Nameethyl 2-acetyloxy-4-aminobenzoate
PubChem CID90384758
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Nameethyl 2-acetyloxy-4-aminobenzoate
SMILESCCOC(=O)c1ccc(N)cc1OC(C)=O
InChIInChI=1S/C11H13NO4/c1-3-15-11(14)9-5-4-8(12)6-10(9)16-7(2)13/h4-6H,3,12H2,1-2H3
InChIKeyMUEGYQPYIVZXEG-UHFFFAOYSA-N
XLogP1.37
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-amino-2-(2-methoxyethoxy)benzoate
CID 106955360
ethyl 2-acetyl-4-aminobenzoate
CID 70477143
ethyl 2-acetyloxybenzoate;hydrochloride
CID 168984732
2-(2-acetyloxybenzoyl)oxy-4-aminobenzoic acid
CID 22723938
ethyl 5-amino-2-methoxybenzoate
CID 22180184
ethyl 4-amino-2-[2-(carbamoylamino)-2-oxoethoxy]benzoate
CID 106955362
1-(4-amino-2-ethoxyphenyl)ethanone
CID 53402816
ethyl 4-amino-2-(2-propan-2-ylsulfonylethoxy)benzoate
CID 106955408
ethyl 4-amino-2-[(3-bromophenyl)methoxy]benzoate
CID 106955208
ethyl 4-amino-2-(3-pyrrolidin-1-ylpropoxy)benzoate
CID 106955343
ethyl 2-acetyloxybenzoate;pyridine
CID 174842838
2-acetyloxy-5-aminobenzoic acid
CID 13140652

Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetyloxy-4-aminobenzoate?
The IUPAC name of ethyl 2-acetyloxy-4-aminobenzoate (CID 90384758) is ethyl 2-acetyloxy-4-aminobenzoate.
What is the SMILES notation for ethyl 2-acetyloxy-4-aminobenzoate?
The canonical SMILES for ethyl 2-acetyloxy-4-aminobenzoate is CCOC(=O)c1ccc(N)cc1OC(C)=O.
What is the InChIKey of ethyl 2-acetyloxy-4-aminobenzoate?
The InChIKey is MUEGYQPYIVZXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-3-15-11(14)9-5-4-8(12)6-10(9)16-7(2)13/h4-6H,3,12H2,1-2H3.
What are the key properties of ethyl 2-acetyloxy-4-aminobenzoate?
ethyl 2-acetyloxy-4-aminobenzoate has a molecular weight of 223.23 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetyloxy-4-aminobenzoate is sourced from PubChem (CID 90384758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).