2-amino-4-(2-ethoxyethylamino)benzoic acid

C11H16N2O3 — CID 104500034

IUPAC2-amino-4-(2-ethoxyethylamino)benzoic acid
SMILESCCOCCNc1ccc(C(=O)O)c(N)c1
InChIInChI=1S/C11H16N2O3/c1-2-16-6-5-13-8-3-4-9(11(14)15)10(12)7-8/h3-4,7,13H,2,5-6,12H2,1H3,(H,14,15)
InChIKeyHZOBSORUFVJSHQ-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.42
Rot. Bonds6

About 2-amino-4-(2-ethoxyethylamino)benzoic acid

2-amino-4-(2-ethoxyethylamino)benzoic acid (PubChem CID 104500034) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-amino-4-(2-ethoxyethylamino)benzoic acid.

Molecular Properties

Compound Name2-amino-4-(2-ethoxyethylamino)benzoic acid
PubChem CID104500034
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-amino-4-(2-ethoxyethylamino)benzoic acid
SMILESCCOCCNc1ccc(C(=O)O)c(N)c1
InChIInChI=1S/C11H16N2O3/c1-2-16-6-5-13-8-3-4-9(11(14)15)10(12)7-8/h3-4,7,13H,2,5-6,12H2,1H3,(H,14,15)
InChIKeyHZOBSORUFVJSHQ-UHFFFAOYSA-N
XLogP1.42
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(2-hydroxyethylamino)benzoic acid
CID 175322504
2-amino-4-[(3-amino-3-oxopropyl)amino]benzoic acid
CID 104500261
2-amino-4-(3-phenoxypropylamino)benzoic acid
CID 104500559
3-(2-ethoxyethylamino)benzoic acid
CID 102822375
2-amino-5-(3-ethoxypropylamino)benzamide
CID 61306219
2-amino-4-(4-ethoxyanilino)benzoic acid
CID 104500077
4-N-(2-ethoxyethyl)-2-propylbenzene-1,4-diamine
CID 57203096
4-(2-butoxyethylamino)-2-(trifluoromethyl)benzoic acid
CID 62709477
2-amino-4-[[3-(2-methylpropylamino)-3-oxopropyl]amino]benzoic acid
CID 104500891
2-amino-4-(benzylamino)benzoic acid
CID 104500082
2-amino-4-[(4-fluoro-3,5-dimethylphenyl)methylamino]benzoic acid
CID 104500786
1-[2-amino-4-(2-hydroxyethylamino)phenyl]ethanone
CID 104528257

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-ethoxyethylamino)benzoic acid?
The IUPAC name of 2-amino-4-(2-ethoxyethylamino)benzoic acid (CID 104500034) is 2-amino-4-(2-ethoxyethylamino)benzoic acid.
What is the SMILES notation for 2-amino-4-(2-ethoxyethylamino)benzoic acid?
The canonical SMILES for 2-amino-4-(2-ethoxyethylamino)benzoic acid is CCOCCNc1ccc(C(=O)O)c(N)c1.
What is the InChIKey of 2-amino-4-(2-ethoxyethylamino)benzoic acid?
The InChIKey is HZOBSORUFVJSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-2-16-6-5-13-8-3-4-9(11(14)15)10(12)7-8/h3-4,7,13H,2,5-6,12H2,1H3,(H,14,15).
What are the key properties of 2-amino-4-(2-ethoxyethylamino)benzoic acid?
2-amino-4-(2-ethoxyethylamino)benzoic acid has a molecular weight of 224.26 g/mol, XLogP of 1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-ethoxyethylamino)benzoic acid is sourced from PubChem (CID 104500034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).