4-amino-2-(2-bicyclo[2.2.1]heptanyloxy)benzoic acid

C14H17NO3 — CID 114245708

IUPAC4-amino-2-(2-bicyclo[2.2.1]heptanyloxy)benzoic acid
SMILESNc1ccc(C(=O)O)c(OC2CC3CCC2C3)c1
InChIInChI=1S/C14H17NO3/c15-10-3-4-11(14(16)17)13(7-10)18-12-6-8-1-2-9(12)5-8/h3-4,7-9,12H,1-2,5-6,15H2,(H,16,17)
InChIKeyZMNGYVQMARKZDD-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.53
Rot. Bonds3

About 4-amino-2-(2-bicyclo[2.2.1]heptanyloxy)benzoic acid

4-amino-2-(2-bicyclo[2.2.1]heptanyloxy)benzoic acid (PubChem CID 114245708) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 4-amino-2-(2-bicyclo[2.2.1]heptanyloxy)benzoic acid.

Molecular Properties

Compound Name4-amino-2-(2-bicyclo[2.2.1]heptanyloxy)benzoic acid
PubChem CID114245708
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name4-amino-2-(2-bicyclo[2.2.1]heptanyloxy)benzoic acid
SMILESNc1ccc(C(=O)O)c(OC2CC3CCC2C3)c1
InChIInChI=1S/C14H17NO3/c15-10-3-4-11(14(16)17)13(7-10)18-12-6-8-1-2-9(12)5-8/h3-4,7-9,12H,1-2,5-6,15H2,(H,16,17)
InChIKeyZMNGYVQMARKZDD-UHFFFAOYSA-N
XLogP2.53
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.53
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

5-(2-bicyclo[2.2.1]heptanyloxy)-2-chlorobenzoic acid
CID 114245371
3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-5-cyclopropyl-2-fluorobenzoic acid
CID 141398440
4-amino-2-(4-ethylcyclohexyl)oxybenzoic acid
CID 106954895
1-[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanone
CID 117051795
3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxybenzoyl chloride
CID 10016547
2-bicyclo[2.2.1]heptanylmethyl 4-amino-2-methoxybenzoate
CID 104784089
4-[[(1S)-2-bicyclo[2.2.1]heptanyl]oxy]-6-propan-2-yloxyquinoline-7-carboxamide
CID 168854215
4-amino-2-(cyclopentylmethoxy)benzoic acid
CID 66321807
(1R,2R,4R)-2-(2-methoxyphenoxy)bicyclo[2.2.1]heptane
CID 18556056
5-amino-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]benzoic acid
CID 63115747
2-(2-bicyclo[2.2.1]heptanylmethoxy)-4-fluorobenzoic acid
CID 107014523
4-amino-2-(2-cyclobutylethoxy)benzoic acid
CID 106203435

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-bicyclo[2.2.1]heptanyloxy)benzoic acid?
The IUPAC name of 4-amino-2-(2-bicyclo[2.2.1]heptanyloxy)benzoic acid (CID 114245708) is 4-amino-2-(2-bicyclo[2.2.1]heptanyloxy)benzoic acid.
What is the SMILES notation for 4-amino-2-(2-bicyclo[2.2.1]heptanyloxy)benzoic acid?
The canonical SMILES for 4-amino-2-(2-bicyclo[2.2.1]heptanyloxy)benzoic acid is Nc1ccc(C(=O)O)c(OC2CC3CCC2C3)c1.
What is the InChIKey of 4-amino-2-(2-bicyclo[2.2.1]heptanyloxy)benzoic acid?
The InChIKey is ZMNGYVQMARKZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c15-10-3-4-11(14(16)17)13(7-10)18-12-6-8-1-2-9(12)5-8/h3-4,7-9,12H,1-2,5-6,15H2,(H,16,17).
What are the key properties of 4-amino-2-(2-bicyclo[2.2.1]heptanyloxy)benzoic acid?
4-amino-2-(2-bicyclo[2.2.1]heptanyloxy)benzoic acid has a molecular weight of 247.29 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-bicyclo[2.2.1]heptanyloxy)benzoic acid is sourced from PubChem (CID 114245708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).