2-amino-6-(5-oxaspiro[3.5]nonan-8-yloxy)benzoic acid

C15H19NO4 — CID 107341466

IUPAC2-amino-6-(5-oxaspiro[3.5]nonan-8-yloxy)benzoic acid
SMILESNc1cccc(OC2CCOC3(CCC3)C2)c1C(=O)O
InChIInChI=1S/C15H19NO4/c16-11-3-1-4-12(13(11)14(17)18)20-10-5-8-19-15(9-10)6-2-7-15/h1,3-4,10H,2,5-9,16H2,(H,17,18)
InChIKeyAGSZISKNXYCRBO-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.45
Rot. Bonds3

About 2-amino-6-(5-oxaspiro[3.5]nonan-8-yloxy)benzoic acid

2-amino-6-(5-oxaspiro[3.5]nonan-8-yloxy)benzoic acid (PubChem CID 107341466) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-amino-6-(5-oxaspiro[3.5]nonan-8-yloxy)benzoic acid.

Molecular Properties

Compound Name2-amino-6-(5-oxaspiro[3.5]nonan-8-yloxy)benzoic acid
PubChem CID107341466
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-amino-6-(5-oxaspiro[3.5]nonan-8-yloxy)benzoic acid
SMILESNc1cccc(OC2CCOC3(CCC3)C2)c1C(=O)O
InChIInChI=1S/C15H19NO4/c16-11-3-1-4-12(13(11)14(17)18)20-10-5-8-19-15(9-10)6-2-7-15/h1,3-4,10H,2,5-9,16H2,(H,17,18)
InChIKeyAGSZISKNXYCRBO-UHFFFAOYSA-N
XLogP2.45
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-(oxan-4-yloxy)benzoic acid
CID 107341552
5-fluoro-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzoic acid
CID 115297905
5-bromo-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzoic acid
CID 79905392
2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenecarbothioamide
CID 79905444
3-(5-oxaspiro[3.5]nonan-8-yloxy)pyridine-4-carboxylic acid
CID 81445391
methyl 5-amino-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzoate
CID 106955854
2,5-dimethyl-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline
CID 79904915
4-(2,3-dimethylphenoxy)-1-oxaspiro[5.5]undecane
CID 103432365
3-(6-oxaspiro[4.5]decan-9-yloxy)pyridin-2-amine
CID 79904908
3-fluoro-2-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
CID 104831304
4-(6-oxaspiro[4.5]decan-9-yloxy)benzoic acid
CID 79904986
3-methoxy-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline
CID 79904771

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(5-oxaspiro[3.5]nonan-8-yloxy)benzoic acid?
The IUPAC name of 2-amino-6-(5-oxaspiro[3.5]nonan-8-yloxy)benzoic acid (CID 107341466) is 2-amino-6-(5-oxaspiro[3.5]nonan-8-yloxy)benzoic acid.
What is the SMILES notation for 2-amino-6-(5-oxaspiro[3.5]nonan-8-yloxy)benzoic acid?
The canonical SMILES for 2-amino-6-(5-oxaspiro[3.5]nonan-8-yloxy)benzoic acid is Nc1cccc(OC2CCOC3(CCC3)C2)c1C(=O)O.
What is the InChIKey of 2-amino-6-(5-oxaspiro[3.5]nonan-8-yloxy)benzoic acid?
The InChIKey is AGSZISKNXYCRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c16-11-3-1-4-12(13(11)14(17)18)20-10-5-8-19-15(9-10)6-2-7-15/h1,3-4,10H,2,5-9,16H2,(H,17,18).
What are the key properties of 2-amino-6-(5-oxaspiro[3.5]nonan-8-yloxy)benzoic acid?
2-amino-6-(5-oxaspiro[3.5]nonan-8-yloxy)benzoic acid has a molecular weight of 277.32 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(5-oxaspiro[3.5]nonan-8-yloxy)benzoic acid is sourced from PubChem (CID 107341466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).