ethyl 4-acetamido-2-aminobenzoate

C11H14N2O3 — CID 19006952

IUPACethyl 4-acetamido-2-aminobenzoate
SMILESCCOC(=O)c1ccc(NC(C)=O)cc1N
InChIInChI=1S/C11H14N2O3/c1-3-16-11(15)9-5-4-8(6-10(9)12)13-7(2)14/h4-6H,3,12H2,1-2H3,(H,13,14)
InChIKeyKTWQTKAVVQTYOU-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.40
Rot. Bonds3

About ethyl 4-acetamido-2-aminobenzoate

ethyl 4-acetamido-2-aminobenzoate (PubChem CID 19006952) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is ethyl 4-acetamido-2-aminobenzoate.

Molecular Properties

Compound Nameethyl 4-acetamido-2-aminobenzoate
PubChem CID19006952
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Nameethyl 4-acetamido-2-aminobenzoate
SMILESCCOC(=O)c1ccc(NC(C)=O)cc1N
InChIInChI=1S/C11H14N2O3/c1-3-16-11(15)9-5-4-8(6-10(9)12)13-7(2)14/h4-6H,3,12H2,1-2H3,(H,13,14)
InChIKeyKTWQTKAVVQTYOU-UHFFFAOYSA-N
XLogP1.40
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-acetamido-2-hydroxybenzoate
CID 11665741
ethyl 4-acetamido-2-(4-chlorophenyl)benzoate
CID 139893211
N-(3-amino-4-ethoxyphenyl)acetamide
CID 28207
[2-(4-acetamidoanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 7864627
ethyl 3-acetamidobenzoate
CID 700589
ethyl 5-acetamido-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CID 131323291
ethyl 2-(4-acetyl-3-aminoanilino)acetate
CID 104528454
ethyl 4-(4-acetamidophenyl)benzoate
CID 134688952
chloromethyl 2-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 165440698
ethyl 5-acetamido-1-benzofuran-2-carboxylate
CID 155578691
ethyl 5-[[2-(2-aminobenzoyl)oxyacetyl]amino]-2-chlorobenzoate
CID 3505157
3-(3-amino-4-ethoxycarbonylphenyl)propanoic acid
CID 134645166

Frequently Asked Questions

What is the IUPAC name of ethyl 4-acetamido-2-aminobenzoate?
The IUPAC name of ethyl 4-acetamido-2-aminobenzoate (CID 19006952) is ethyl 4-acetamido-2-aminobenzoate.
What is the SMILES notation for ethyl 4-acetamido-2-aminobenzoate?
The canonical SMILES for ethyl 4-acetamido-2-aminobenzoate is CCOC(=O)c1ccc(NC(C)=O)cc1N.
What is the InChIKey of ethyl 4-acetamido-2-aminobenzoate?
The InChIKey is KTWQTKAVVQTYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-3-16-11(15)9-5-4-8(6-10(9)12)13-7(2)14/h4-6H,3,12H2,1-2H3,(H,13,14).
What are the key properties of ethyl 4-acetamido-2-aminobenzoate?
ethyl 4-acetamido-2-aminobenzoate has a molecular weight of 222.24 g/mol, XLogP of 1.40, 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-aminobenzoate is sourced from PubChem (CID 19006952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).