2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)benzoic acid

C17H17NO2 — CID 11086726

IUPAC2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)benzoic acid
SMILESO=C(O)c1ccccc1Nc1cccc2c1CCCC2
InChIInChI=1S/C17H17NO2/c19-17(20)14-9-3-4-10-16(14)18-15-11-5-7-12-6-1-2-8-13(12)15/h3-5,7,9-11,18H,1-2,6,8H2,(H,19,20)
InChIKeyHZUJSMNNJDGEES-UHFFFAOYSA-N
MW267.33 g/mol
LogP4.01
Rot. Bonds3

About 2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)benzoic acid

2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)benzoic acid (PubChem CID 11086726) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)benzoic acid.

Molecular Properties

Compound Name2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)benzoic acid
PubChem CID11086726
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)benzoic acid
SMILESO=C(O)c1ccccc1Nc1cccc2c1CCCC2
InChIInChI=1S/C17H17NO2/c19-17(20)14-9-3-4-10-16(14)18-15-11-5-7-12-6-1-2-8-13(12)15/h3-5,7,9-11,18H,1-2,6,8H2,(H,19,20)
InChIKeyHZUJSMNNJDGEES-UHFFFAOYSA-N
XLogP4.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)benzoic acid?
The IUPAC name of 2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)benzoic acid (CID 11086726) is 2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)benzoic acid.
What is the SMILES notation for 2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)benzoic acid?
The canonical SMILES for 2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)benzoic acid is O=C(O)c1ccccc1Nc1cccc2c1CCCC2.
What is the InChIKey of 2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)benzoic acid?
The InChIKey is HZUJSMNNJDGEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c19-17(20)14-9-3-4-10-16(14)18-15-11-5-7-12-6-1-2-8-13(12)15/h3-5,7,9-11,18H,1-2,6,8H2,(H,19,20).
What are the key properties of 2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)benzoic acid?
2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)benzoic acid has a molecular weight of 267.33 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)benzoic acid is sourced from PubChem (CID 11086726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).