2-(1-aminonaphthalen-2-yl)benzoic acid

C17H13NO2 — CID 21398858

IUPAC2-(1-aminonaphthalen-2-yl)benzoic acid
SMILESNc1c(-c2ccccc2C(=O)O)ccc2ccccc12
InChIInChI=1S/C17H13NO2/c18-16-12-6-2-1-5-11(12)9-10-14(16)13-7-3-4-8-15(13)17(19)20/h1-10H,18H2,(H,19,20)
InChIKeyLUQUFQOHLCNATP-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.79
Rot. Bonds2

About 2-(1-aminonaphthalen-2-yl)benzoic acid

2-(1-aminonaphthalen-2-yl)benzoic acid (PubChem CID 21398858) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-(1-aminonaphthalen-2-yl)benzoic acid.

Molecular Properties

Compound Name2-(1-aminonaphthalen-2-yl)benzoic acid
PubChem CID21398858
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name2-(1-aminonaphthalen-2-yl)benzoic acid
SMILESNc1c(-c2ccccc2C(=O)O)ccc2ccccc12
InChIInChI=1S/C17H13NO2/c18-16-12-6-2-1-5-11(12)9-10-14(16)13-7-3-4-8-15(13)17(19)20/h1-10H,18H2,(H,19,20)
InChIKeyLUQUFQOHLCNATP-UHFFFAOYSA-N
XLogP3.79
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminonaphthalen-2-yl)benzoic acid?
The IUPAC name of 2-(1-aminonaphthalen-2-yl)benzoic acid (CID 21398858) is 2-(1-aminonaphthalen-2-yl)benzoic acid.
What is the SMILES notation for 2-(1-aminonaphthalen-2-yl)benzoic acid?
The canonical SMILES for 2-(1-aminonaphthalen-2-yl)benzoic acid is Nc1c(-c2ccccc2C(=O)O)ccc2ccccc12.
What is the InChIKey of 2-(1-aminonaphthalen-2-yl)benzoic acid?
The InChIKey is LUQUFQOHLCNATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2/c18-16-12-6-2-1-5-11(12)9-10-14(16)13-7-3-4-8-15(13)17(19)20/h1-10H,18H2,(H,19,20).
What are the key properties of 2-(1-aminonaphthalen-2-yl)benzoic acid?
2-(1-aminonaphthalen-2-yl)benzoic acid has a molecular weight of 263.30 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminonaphthalen-2-yl)benzoic acid is sourced from PubChem (CID 21398858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).