ethyl 2-acetyl-4-aminobenzoate

C11H13NO3 — CID 70477143

IUPACethyl 2-acetyl-4-aminobenzoate
SMILESCCOC(=O)c1ccc(N)cc1C(C)=O
InChIInChI=1S/C11H13NO3/c1-3-15-11(14)9-5-4-8(12)6-10(9)7(2)13/h4-6H,3,12H2,1-2H3
InChIKeyVJTQGTIDKAXEBT-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.65
Rot. Bonds3

About ethyl 2-acetyl-4-aminobenzoate

ethyl 2-acetyl-4-aminobenzoate (PubChem CID 70477143) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is ethyl 2-acetyl-4-aminobenzoate.

Molecular Properties

Compound Nameethyl 2-acetyl-4-aminobenzoate
PubChem CID70477143
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Nameethyl 2-acetyl-4-aminobenzoate
SMILESCCOC(=O)c1ccc(N)cc1C(C)=O
InChIInChI=1S/C11H13NO3/c1-3-15-11(14)9-5-4-8(12)6-10(9)7(2)13/h4-6H,3,12H2,1-2H3
InChIKeyVJTQGTIDKAXEBT-UHFFFAOYSA-N
XLogP1.65
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl 2-acetyl-4-aminobenzoate
CID 70486883
ethyl 2-acetyloxy-4-aminobenzoate
CID 90384758
1-O-ethyl 2-O-hexyl 4-aminobenzene-1,2-dicarboxylate
CID 70177918
ethyl 5-amino-2-methoxybenzoate
CID 22180184
ethyl 5-amino-2-(2-chloropropanoyl)benzoate
CID 134644200
1-(4-amino-2-ethoxyphenyl)ethanone
CID 53402816
ethyl 5-amino-2-(ethylamino)benzoate
CID 61313445
2-acetyl-4-(3-carboxy-4-ethoxycarbonylbenzoyl)benzoic acid
CID 58264604
1-(5-amino-2-ethoxyphenyl)ethanone;hydrochloride
CID 23470682
ethyl 4-amino-2-(2-methoxyethoxy)benzoate
CID 106955360
ethyl 5-amino-2-[bis(2-amino-2-oxoethyl)amino]benzoate
CID 62921611
diethyl 4-chlorobenzene-1,2-dicarboxylate
CID 14910056

Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetyl-4-aminobenzoate?
The IUPAC name of ethyl 2-acetyl-4-aminobenzoate (CID 70477143) is ethyl 2-acetyl-4-aminobenzoate.
What is the SMILES notation for ethyl 2-acetyl-4-aminobenzoate?
The canonical SMILES for ethyl 2-acetyl-4-aminobenzoate is CCOC(=O)c1ccc(N)cc1C(C)=O.
What is the InChIKey of ethyl 2-acetyl-4-aminobenzoate?
The InChIKey is VJTQGTIDKAXEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-3-15-11(14)9-5-4-8(12)6-10(9)7(2)13/h4-6H,3,12H2,1-2H3.
What are the key properties of ethyl 2-acetyl-4-aminobenzoate?
ethyl 2-acetyl-4-aminobenzoate has a molecular weight of 207.23 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetyl-4-aminobenzoate is sourced from PubChem (CID 70477143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).