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

C11H16N2O4 — CID 61235629

IUPAC5-amino-2-[bis(2-hydroxyethyl)amino]benzoic acid
SMILESNc1ccc(N(CCO)CCO)c(C(=O)O)c1
InChIInChI=1S/C11H16N2O4/c12-8-1-2-10(9(7-8)11(16)17)13(3-5-14)4-6-15/h1-2,7,14-15H,3-6,12H2,(H,16,17)
InChIKeyRASDVUOVPVOSLB-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.24
Rot. Bonds6

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

5-amino-2-[bis(2-hydroxyethyl)amino]benzoic acid (PubChem CID 61235629) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-amino-2-[bis(2-hydroxyethyl)amino]benzoic acid.

Molecular Properties

Compound Name5-amino-2-[bis(2-hydroxyethyl)amino]benzoic acid
PubChem CID61235629
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name5-amino-2-[bis(2-hydroxyethyl)amino]benzoic acid
SMILESNc1ccc(N(CCO)CCO)c(C(=O)O)c1
InChIInChI=1S/C11H16N2O4/c12-8-1-2-10(9(7-8)11(16)17)13(3-5-14)4-6-15/h1-2,7,14-15H,3-6,12H2,(H,16,17)
InChIKeyRASDVUOVPVOSLB-UHFFFAOYSA-N
XLogP-0.24
TPSA107.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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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Related Compounds

5-amino-2-[ethyl(2-hydroxyethyl)amino]benzoic acid
CID 60989168
5-amino-2-[ethyl(2-hydroxyethyl)amino]benzamide
CID 55136103
5-amino-2-[bis(2-methylpropyl)amino]benzoic acid
CID 61376744
5-amino-2-[5-hydroxypentyl(methyl)amino]benzoic acid
CID 63116498
5-amino-2-[[3-(dimethylamino)-3-oxopropyl]-methylamino]benzoic acid
CID 63116577
5-amino-2-[methyl(2-methylsulfonylethyl)amino]benzoic acid
CID 63116676
5-amino-2-[methyl(tetradecyl)amino]benzoic acid
CID 21388724
5-amino-2-[2-cyanopropyl(ethyl)amino]benzoic acid
CID 54988290
5-amino-2-(N-ethylanilino)benzoic acid
CID 54888269
5-amino-2-[1-carboxypropyl(methyl)amino]benzoic acid
CID 64660956
[5-amino-2-(dipropylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 91683050
4-amino-2-[2-hydroxyethyl(2-methoxyethyl)amino]benzamide
CID 113467671

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[bis(2-hydroxyethyl)amino]benzoic acid?
The IUPAC name of 5-amino-2-[bis(2-hydroxyethyl)amino]benzoic acid (CID 61235629) is 5-amino-2-[bis(2-hydroxyethyl)amino]benzoic acid.
What is the SMILES notation for 5-amino-2-[bis(2-hydroxyethyl)amino]benzoic acid?
The canonical SMILES for 5-amino-2-[bis(2-hydroxyethyl)amino]benzoic acid is Nc1ccc(N(CCO)CCO)c(C(=O)O)c1.
What is the InChIKey of 5-amino-2-[bis(2-hydroxyethyl)amino]benzoic acid?
The InChIKey is RASDVUOVPVOSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c12-8-1-2-10(9(7-8)11(16)17)13(3-5-14)4-6-15/h1-2,7,14-15H,3-6,12H2,(H,16,17).
What are the key properties of 5-amino-2-[bis(2-hydroxyethyl)amino]benzoic acid?
5-amino-2-[bis(2-hydroxyethyl)amino]benzoic acid has a molecular weight of 240.26 g/mol, XLogP of -0.24, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[bis(2-hydroxyethyl)amino]benzoic acid is sourced from PubChem (CID 61235629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).