2-(6-acetylnaphthalen-2-yl)propanoic acid;azane

C15H17NO3 — CID 173455437

IUPAC2-(6-acetylnaphthalen-2-yl)propanoic acid;azane
SMILESCC(=O)c1ccc2cc(C(C)C(=O)O)ccc2c1.N
InChIInChI=1S/C15H14O3.H3N/c1-9(15(17)18)11-3-5-14-8-12(10(2)16)4-6-13(14)7-11;/h3-9H,1-2H3,(H,17,18);1H3
InChIKeyFUYWYTSXGFLKCP-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.39
Rot. Bonds3

About 2-(6-acetylnaphthalen-2-yl)propanoic acid;azane

2-(6-acetylnaphthalen-2-yl)propanoic acid;azane (PubChem CID 173455437) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(6-acetylnaphthalen-2-yl)propanoic acid;azane.

Molecular Properties

Compound Name2-(6-acetylnaphthalen-2-yl)propanoic acid;azane
PubChem CID173455437
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name2-(6-acetylnaphthalen-2-yl)propanoic acid;azane
SMILESCC(=O)c1ccc2cc(C(C)C(=O)O)ccc2c1.N
InChIInChI=1S/C15H14O3.H3N/c1-9(15(17)18)11-3-5-14-8-12(10(2)16)4-6-13(14)7-11;/h3-9H,1-2H3,(H,17,18);1H3
InChIKeyFUYWYTSXGFLKCP-UHFFFAOYSA-N
XLogP3.39
TPSA89.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(6-acetylnaphthalen-2-yl)propanoic acid;azane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-acetylnaphthalen-2-yl)propanoic acid;azane?
The IUPAC name of 2-(6-acetylnaphthalen-2-yl)propanoic acid;azane (CID 173455437) is 2-(6-acetylnaphthalen-2-yl)propanoic acid;azane.
What is the SMILES notation for 2-(6-acetylnaphthalen-2-yl)propanoic acid;azane?
The canonical SMILES for 2-(6-acetylnaphthalen-2-yl)propanoic acid;azane is CC(=O)c1ccc2cc(C(C)C(=O)O)ccc2c1.N.
What is the InChIKey of 2-(6-acetylnaphthalen-2-yl)propanoic acid;azane?
The InChIKey is FUYWYTSXGFLKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3.H3N/c1-9(15(17)18)11-3-5-14-8-12(10(2)16)4-6-13(14)7-11;/h3-9H,1-2H3,(H,17,18);1H3.
What are the key properties of 2-(6-acetylnaphthalen-2-yl)propanoic acid;azane?
2-(6-acetylnaphthalen-2-yl)propanoic acid;azane has a molecular weight of 259.31 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-acetylnaphthalen-2-yl)propanoic acid;azane is sourced from PubChem (CID 173455437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).