3-(2-ethoxyethylamino)benzoic acid

C11H15NO3 — CID 102822375

IUPAC3-(2-ethoxyethylamino)benzoic acid
SMILESCCOCCNc1cccc(C(=O)O)c1
InChIInChI=1S/C11H15NO3/c1-2-15-7-6-12-10-5-3-4-9(8-10)11(13)14/h3-5,8,12H,2,6-7H2,1H3,(H,13,14)
InChIKeyZUPNWZBZXQXBKR-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.83
Rot. Bonds6

About 3-(2-ethoxyethylamino)benzoic acid

3-(2-ethoxyethylamino)benzoic acid (PubChem CID 102822375) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 3-(2-ethoxyethylamino)benzoic acid.

Molecular Properties

Compound Name3-(2-ethoxyethylamino)benzoic acid
PubChem CID102822375
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name3-(2-ethoxyethylamino)benzoic acid
SMILESCCOCCNc1cccc(C(=O)O)c1
InChIInChI=1S/C11H15NO3/c1-2-15-7-6-12-10-5-3-4-9(8-10)11(13)14/h3-5,8,12H,2,6-7H2,1H3,(H,13,14)
InChIKeyZUPNWZBZXQXBKR-UHFFFAOYSA-N
XLogP1.83
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-ethoxypropanoylamino)benzoic acid
CID 55023446
3-[(3-methoxy-3-methylbutyl)amino]benzoic acid
CID 106675116
3-[2-(3-methylphenoxy)ethylamino]benzoic acid
CID 82096040
3-[[3-(2-ethoxyethoxymethyl)anilino]methyl]benzoic acid
CID 122029521
3-(3-phenoxypropylamino)benzoic acid
CID 82096044
3-[2-(4-chlorophenoxy)ethylamino]benzoic acid
CID 82096042
3-(3-hydroxybutylamino)benzoic acid
CID 102823082
3-(2-methylsulfinylethylamino)benzoic acid
CID 102823367
2-amino-4-(2-ethoxyethylamino)benzoic acid
CID 104500034
2-(2-ethoxyethylamino)pyridine-4-carboxylic acid
CID 43591505
N-[2-(2-ethoxyethoxy)ethyl]aniline
CID 23009140
3-(2-phenylethylamino)benzoic acid
CID 43139401

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethylamino)benzoic acid?
The IUPAC name of 3-(2-ethoxyethylamino)benzoic acid (CID 102822375) is 3-(2-ethoxyethylamino)benzoic acid.
What is the SMILES notation for 3-(2-ethoxyethylamino)benzoic acid?
The canonical SMILES for 3-(2-ethoxyethylamino)benzoic acid is CCOCCNc1cccc(C(=O)O)c1.
What is the InChIKey of 3-(2-ethoxyethylamino)benzoic acid?
The InChIKey is ZUPNWZBZXQXBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-2-15-7-6-12-10-5-3-4-9(8-10)11(13)14/h3-5,8,12H,2,6-7H2,1H3,(H,13,14).
What are the key properties of 3-(2-ethoxyethylamino)benzoic acid?
3-(2-ethoxyethylamino)benzoic acid has a molecular weight of 209.24 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethylamino)benzoic acid is sourced from PubChem (CID 102822375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).