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

C11H15NO4 — CID 803675

IUPAC3-[bis(2-hydroxyethyl)amino]benzoic acid
SMILESO=C(O)c1cccc(N(CCO)CCO)c1
InChIInChI=1S/C11H15NO4/c13-6-4-12(5-7-14)10-3-1-2-9(8-10)11(15)16/h1-3,8,13-14H,4-7H2,(H,15,16)
InChIKeyWJQCXGJUJSZNOO-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.18
Rot. Bonds6

About 3-[bis(2-hydroxyethyl)amino]benzoic acid

3-[bis(2-hydroxyethyl)amino]benzoic acid (PubChem CID 803675) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 3-[bis(2-hydroxyethyl)amino]benzoic acid.

Molecular Properties

Compound Name3-[bis(2-hydroxyethyl)amino]benzoic acid
PubChem CID803675
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name3-[bis(2-hydroxyethyl)amino]benzoic acid
SMILESO=C(O)c1cccc(N(CCO)CCO)c1
InChIInChI=1S/C11H15NO4/c13-6-4-12(5-7-14)10-3-1-2-9(8-10)11(15)16/h1-3,8,13-14H,4-7H2,(H,15,16)
InChIKeyWJQCXGJUJSZNOO-UHFFFAOYSA-N
XLogP0.18
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-hydroxyethyl)amino]benzoic acid?
The IUPAC name of 3-[bis(2-hydroxyethyl)amino]benzoic acid (CID 803675) is 3-[bis(2-hydroxyethyl)amino]benzoic acid.
What is the SMILES notation for 3-[bis(2-hydroxyethyl)amino]benzoic acid?
The canonical SMILES for 3-[bis(2-hydroxyethyl)amino]benzoic acid is O=C(O)c1cccc(N(CCO)CCO)c1.
What is the InChIKey of 3-[bis(2-hydroxyethyl)amino]benzoic acid?
The InChIKey is WJQCXGJUJSZNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c13-6-4-12(5-7-14)10-3-1-2-9(8-10)11(15)16/h1-3,8,13-14H,4-7H2,(H,15,16).
What are the key properties of 3-[bis(2-hydroxyethyl)amino]benzoic acid?
3-[bis(2-hydroxyethyl)amino]benzoic acid has a molecular weight of 225.24 g/mol, XLogP of 0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-hydroxyethyl)amino]benzoic acid is sourced from PubChem (CID 803675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).