ethyl 4-aminobenzoate

C9H11NO2 — CID 2337

💊View drug profile → benzocaine
IUPACethyl 4-aminobenzoate
SMILESCCOC(=O)c1ccc(N)cc1
InChIInChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3
InChIKeyBLFLLBZGZJTVJG-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.45
Rot. Bonds2

About ethyl 4-aminobenzoate

ethyl 4-aminobenzoate (PubChem CID 2337) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is ethyl 4-aminobenzoate.

Molecular Properties

Compound Nameethyl 4-aminobenzoate
PubChem CID2337
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Nameethyl 4-aminobenzoate
SMILESCCOC(=O)c1ccc(N)cc1
InChIInChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3
InChIKeyBLFLLBZGZJTVJG-UHFFFAOYSA-N
XLogP1.45
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butane;ethyl 4-aminobenzoate
CID 67389405
ethyl 4-aminobenzoate;2,2,2-trifluoroethanol
CID 158787632
ethyl 4-aminobenzoate;ethyl 3-aminopropanoate
CID 159822320
ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
CID 11110194
ethyl 4-[(4-aminophenoxy)methyl]benzoate
CID 39109130
ethane;ethyl 4-methylbenzoate
CID 142095143
ethyl 4-methylbenzoate;hydrochloride
CID 172804692
ethyl 6-aminonaphthalene-2-carboxylate
CID 58111738
ethyl 4-aminobenzoate;methyl 2-hydroxybenzoate
CID 11186177
(4-ethoxycarbonylphenyl)-λ2-stannane
CID 173440121
ethyl 4-fluorobenzoate;hydrochloride
CID 175130638
trimethylsilylmethyl 4-aminobenzoate
CID 13238788

Frequently Asked Questions

What is the IUPAC name of ethyl 4-aminobenzoate?
The IUPAC name of ethyl 4-aminobenzoate (CID 2337) is ethyl 4-aminobenzoate.
What is the SMILES notation for ethyl 4-aminobenzoate?
The canonical SMILES for ethyl 4-aminobenzoate is CCOC(=O)c1ccc(N)cc1.
What is the InChIKey of ethyl 4-aminobenzoate?
The InChIKey is BLFLLBZGZJTVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3.
What are the key properties of ethyl 4-aminobenzoate?
ethyl 4-aminobenzoate has a molecular weight of 165.19 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-aminobenzoate is sourced from PubChem (CID 2337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).