2-amino-6-cyclobutyloxy-3-fluorobenzoic acid

C11H12FNO3 — CID 83215642

IUPAC2-amino-6-cyclobutyloxy-3-fluorobenzoic acid
SMILESNc1c(F)ccc(OC2CCC2)c1C(=O)O
InChIInChI=1S/C11H12FNO3/c12-7-4-5-8(16-6-2-1-3-6)9(10(7)13)11(14)15/h4-6H,1-3,13H2,(H,14,15)
InChIKeyRFLPEBZNXIFOAU-UHFFFAOYSA-N
MW225.22 g/mol
LogP2.04
Rot. Bonds3

About 2-amino-6-cyclobutyloxy-3-fluorobenzoic acid

2-amino-6-cyclobutyloxy-3-fluorobenzoic acid (PubChem CID 83215642) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is 2-amino-6-cyclobutyloxy-3-fluorobenzoic acid.

Molecular Properties

Compound Name2-amino-6-cyclobutyloxy-3-fluorobenzoic acid
PubChem CID83215642
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name2-amino-6-cyclobutyloxy-3-fluorobenzoic acid
SMILESNc1c(F)ccc(OC2CCC2)c1C(=O)O
InChIInChI=1S/C11H12FNO3/c12-7-4-5-8(16-6-2-1-3-6)9(10(7)13)11(14)15/h4-6H,1-3,13H2,(H,14,15)
InChIKeyRFLPEBZNXIFOAU-UHFFFAOYSA-N
XLogP2.04
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-(3,4-dimethylcyclohexyl)oxy-3-fluorobenzoic acid
CID 83214917
2-amino-3-fluoro-6-(4-methylpentan-2-yloxy)benzoic acid
CID 83215718
2-amino-3-fluoro-6-(2-pyrrolidin-1-ylethoxy)benzoic acid
CID 83214753
2-amino-6-[(4-ethylcyclohexyl)amino]-3-fluorobenzoic acid
CID 83215667
2-amino-3-fluoro-6-(2-methylsulfanylphenoxy)benzoic acid
CID 83215087
3-cyclopropyloxy-6-(3,4-difluoro-2-methoxyphenoxy)-2-fluorobenzoic acid
CID 154645221
2-amino-6-[(2,3-dimethylcyclohexyl)amino]-3-fluorobenzoic acid
CID 83215255
2-amino-6-(2-ethoxyphenoxy)-3-fluorobenzoic acid
CID 83206714
2-amino-3-fluoro-6-(2-iodophenoxy)benzoic acid
CID 83215477
2-amino-3-(cyclopropylmethoxy)-6-fluorobenzoic acid
CID 103586472
2-fluoro-6-(oxan-4-yloxy)benzoic acid
CID 79511239
1-cyclobutyloxy-2,3,4-trifluorobenzene
CID 155030976

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-cyclobutyloxy-3-fluorobenzoic acid?
The IUPAC name of 2-amino-6-cyclobutyloxy-3-fluorobenzoic acid (CID 83215642) is 2-amino-6-cyclobutyloxy-3-fluorobenzoic acid.
What is the SMILES notation for 2-amino-6-cyclobutyloxy-3-fluorobenzoic acid?
The canonical SMILES for 2-amino-6-cyclobutyloxy-3-fluorobenzoic acid is Nc1c(F)ccc(OC2CCC2)c1C(=O)O.
What is the InChIKey of 2-amino-6-cyclobutyloxy-3-fluorobenzoic acid?
The InChIKey is RFLPEBZNXIFOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3/c12-7-4-5-8(16-6-2-1-3-6)9(10(7)13)11(14)15/h4-6H,1-3,13H2,(H,14,15).
What are the key properties of 2-amino-6-cyclobutyloxy-3-fluorobenzoic acid?
2-amino-6-cyclobutyloxy-3-fluorobenzoic acid has a molecular weight of 225.22 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-cyclobutyloxy-3-fluorobenzoic acid is sourced from PubChem (CID 83215642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).