5-hydroxy-2-[(2-hydroxynaphthalen-1-yl)-methylamino]benzoic acid

C18H15NO4 — CID 172839024

IUPAC5-hydroxy-2-[(2-hydroxynaphthalen-1-yl)-methylamino]benzoic acid
SMILESCN(c1ccc(O)cc1C(=O)O)c1c(O)ccc2ccccc12
InChIInChI=1S/C18H15NO4/c1-19(15-8-7-12(20)10-14(15)18(22)23)17-13-5-3-2-4-11(13)6-9-16(17)21/h2-10,20-21H,1H3,(H,22,23)
InChIKeyWNVJVFIHKWGWGL-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.72
Rot. Bonds3

About 5-hydroxy-2-[(2-hydroxynaphthalen-1-yl)-methylamino]benzoic acid

5-hydroxy-2-[(2-hydroxynaphthalen-1-yl)-methylamino]benzoic acid (PubChem CID 172839024) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is 5-hydroxy-2-[(2-hydroxynaphthalen-1-yl)-methylamino]benzoic acid.

Molecular Properties

Compound Name5-hydroxy-2-[(2-hydroxynaphthalen-1-yl)-methylamino]benzoic acid
PubChem CID172839024
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name5-hydroxy-2-[(2-hydroxynaphthalen-1-yl)-methylamino]benzoic acid
SMILESCN(c1ccc(O)cc1C(=O)O)c1c(O)ccc2ccccc12
InChIInChI=1S/C18H15NO4/c1-19(15-8-7-12(20)10-14(15)18(22)23)17-13-5-3-2-4-11(13)6-9-16(17)21/h2-10,20-21H,1H3,(H,22,23)
InChIKeyWNVJVFIHKWGWGL-UHFFFAOYSA-N
XLogP3.72
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[(2-hydroxynaphthalen-1-yl)-methylamino]benzoic acid?
The IUPAC name of 5-hydroxy-2-[(2-hydroxynaphthalen-1-yl)-methylamino]benzoic acid (CID 172839024) is 5-hydroxy-2-[(2-hydroxynaphthalen-1-yl)-methylamino]benzoic acid.
What is the SMILES notation for 5-hydroxy-2-[(2-hydroxynaphthalen-1-yl)-methylamino]benzoic acid?
The canonical SMILES for 5-hydroxy-2-[(2-hydroxynaphthalen-1-yl)-methylamino]benzoic acid is CN(c1ccc(O)cc1C(=O)O)c1c(O)ccc2ccccc12.
What is the InChIKey of 5-hydroxy-2-[(2-hydroxynaphthalen-1-yl)-methylamino]benzoic acid?
The InChIKey is WNVJVFIHKWGWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-19(15-8-7-12(20)10-14(15)18(22)23)17-13-5-3-2-4-11(13)6-9-16(17)21/h2-10,20-21H,1H3,(H,22,23).
What are the key properties of 5-hydroxy-2-[(2-hydroxynaphthalen-1-yl)-methylamino]benzoic acid?
5-hydroxy-2-[(2-hydroxynaphthalen-1-yl)-methylamino]benzoic acid has a molecular weight of 309.32 g/mol, XLogP of 3.72, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[(2-hydroxynaphthalen-1-yl)-methylamino]benzoic acid is sourced from PubChem (CID 172839024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).