4-(ethoxyamino)-2-ethylbenzoic acid

C11H15NO3 — CID 87455790

IUPAC4-(ethoxyamino)-2-ethylbenzoic acid
SMILESCCONc1ccc(C(=O)O)c(CC)c1
InChIInChI=1S/C11H15NO3/c1-3-8-7-9(12-15-4-2)5-6-10(8)11(13)14/h5-7,12H,3-4H2,1-2H3,(H,13,14)
InChIKeyPTWVAZCDJKNXET-UHFFFAOYSA-N
MW209.24 g/mol
LogP2.31
Rot. Bonds5

About 4-(ethoxyamino)-2-ethylbenzoic acid

4-(ethoxyamino)-2-ethylbenzoic acid (PubChem CID 87455790) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 4-(ethoxyamino)-2-ethylbenzoic acid.

Molecular Properties

Compound Name4-(ethoxyamino)-2-ethylbenzoic acid
PubChem CID87455790
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name4-(ethoxyamino)-2-ethylbenzoic acid
SMILESCCONc1ccc(C(=O)O)c(CC)c1
InChIInChI=1S/C11H15NO3/c1-3-8-7-9(12-15-4-2)5-6-10(8)11(13)14/h5-7,12H,3-4H2,1-2H3,(H,13,14)
InChIKeyPTWVAZCDJKNXET-UHFFFAOYSA-N
XLogP2.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-4-(octadecoxyamino)benzoic acid
CID 88658368
2-ethyl-4-(1,3-thiazol-2-ylamino)benzoic acid
CID 87550849
2-ethyl-4-(pyridine-2-carbonylamino)benzoic acid
CID 54055082
2-ethyl-4-(pyridine-4-carbonylamino)benzoic acid
CID 19699090
2-ethyl-4-methylbenzoic acid
CID 19886963
2-ethyl-4-fluorobenzoic acid
CID 22101376
2-ethyl-4-[(2-nitro-3-pyridinyl)amino]benzoic acid
CID 66716476
2-ethyl-4-phenoxybenzoic acid;tungsten
CID 167701074
4-[2-(diethylamino)ethoxy]-2-ethylbenzoic acid
CID 69431703
2-ethyl-4-sulfamoylbenzoic acid
CID 68595259
2-ethyl-4-hydroxybenzoic acid;4-hydroxy-2-methylbenzoic acid
CID 70039080
2-amino-4-(4-ethoxyanilino)benzoic acid
CID 104500077

Frequently Asked Questions

What is the IUPAC name of 4-(ethoxyamino)-2-ethylbenzoic acid?
The IUPAC name of 4-(ethoxyamino)-2-ethylbenzoic acid (CID 87455790) is 4-(ethoxyamino)-2-ethylbenzoic acid.
What is the SMILES notation for 4-(ethoxyamino)-2-ethylbenzoic acid?
The canonical SMILES for 4-(ethoxyamino)-2-ethylbenzoic acid is CCONc1ccc(C(=O)O)c(CC)c1.
What is the InChIKey of 4-(ethoxyamino)-2-ethylbenzoic acid?
The InChIKey is PTWVAZCDJKNXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-3-8-7-9(12-15-4-2)5-6-10(8)11(13)14/h5-7,12H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 4-(ethoxyamino)-2-ethylbenzoic acid?
4-(ethoxyamino)-2-ethylbenzoic acid has a molecular weight of 209.24 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxyamino)-2-ethylbenzoic acid is sourced from PubChem (CID 87455790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).