5-amino-2-[ethyl(2-hydroxyethyl)amino]benzoic acid

C11H16N2O3 — CID 60989168

IUPAC5-amino-2-[ethyl(2-hydroxyethyl)amino]benzoic acid
SMILESCCN(CCO)c1ccc(N)cc1C(=O)O
InChIInChI=1S/C11H16N2O3/c1-2-13(5-6-14)10-4-3-8(12)7-9(10)11(15)16/h3-4,7,14H,2,5-6,12H2,1H3,(H,15,16)
InChIKeyBMTGDPWJSROFKD-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.79
Rot. Bonds5

About 5-amino-2-[ethyl(2-hydroxyethyl)amino]benzoic acid

5-amino-2-[ethyl(2-hydroxyethyl)amino]benzoic acid (PubChem CID 60989168) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-amino-2-[ethyl(2-hydroxyethyl)amino]benzoic acid.

Molecular Properties

Compound Name5-amino-2-[ethyl(2-hydroxyethyl)amino]benzoic acid
PubChem CID60989168
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name5-amino-2-[ethyl(2-hydroxyethyl)amino]benzoic acid
SMILESCCN(CCO)c1ccc(N)cc1C(=O)O
InChIInChI=1S/C11H16N2O3/c1-2-13(5-6-14)10-4-3-8(12)7-9(10)11(15)16/h3-4,7,14H,2,5-6,12H2,1H3,(H,15,16)
InChIKeyBMTGDPWJSROFKD-UHFFFAOYSA-N
XLogP0.79
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[ethyl(2-hydroxyethyl)amino]benzoic acid?
The IUPAC name of 5-amino-2-[ethyl(2-hydroxyethyl)amino]benzoic acid (CID 60989168) is 5-amino-2-[ethyl(2-hydroxyethyl)amino]benzoic acid.
What is the SMILES notation for 5-amino-2-[ethyl(2-hydroxyethyl)amino]benzoic acid?
The canonical SMILES for 5-amino-2-[ethyl(2-hydroxyethyl)amino]benzoic acid is CCN(CCO)c1ccc(N)cc1C(=O)O.
What is the InChIKey of 5-amino-2-[ethyl(2-hydroxyethyl)amino]benzoic acid?
The InChIKey is BMTGDPWJSROFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-2-13(5-6-14)10-4-3-8(12)7-9(10)11(15)16/h3-4,7,14H,2,5-6,12H2,1H3,(H,15,16).
What are the key properties of 5-amino-2-[ethyl(2-hydroxyethyl)amino]benzoic acid?
5-amino-2-[ethyl(2-hydroxyethyl)amino]benzoic acid has a molecular weight of 224.26 g/mol, XLogP of 0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[ethyl(2-hydroxyethyl)amino]benzoic acid is sourced from PubChem (CID 60989168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).