(3-amino-2-cyclopentylphenyl)boronic acid

C11H16BNO2 — CID 68783806

IUPAC(3-amino-2-cyclopentylphenyl)boronic acid
SMILESNc1cccc(B(O)O)c1C1CCCC1
InChIInChI=1S/C11H16BNO2/c13-10-7-3-6-9(12(14)15)11(10)8-4-1-2-5-8/h3,6-8,14-15H,1-2,4-5,13H2
InChIKeyUXSVZKVDFWWKRC-UHFFFAOYSA-N
MW205.07 g/mol
LogP0.61
Rot. Bonds2

About (3-amino-2-cyclopentylphenyl)boronic acid

(3-amino-2-cyclopentylphenyl)boronic acid (PubChem CID 68783806) has the molecular formula C11H16BNO2 and a molecular weight of 205.07 g/mol. Its IUPAC name is (3-amino-2-cyclopentylphenyl)boronic acid.

Molecular Properties

Compound Name(3-amino-2-cyclopentylphenyl)boronic acid
PubChem CID68783806
Molecular FormulaC11H16BNO2
Molecular Weight205.07 g/mol
Exact Mass205.13
IUPAC Name(3-amino-2-cyclopentylphenyl)boronic acid
SMILESNc1cccc(B(O)O)c1C1CCCC1
InChIInChI=1S/C11H16BNO2/c13-10-7-3-6-9(12(14)15)11(10)8-4-1-2-5-8/h3,6-8,14-15H,1-2,4-5,13H2
InChIKeyUXSVZKVDFWWKRC-UHFFFAOYSA-N
XLogP0.61
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.07
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-amino-2-cyclopentylphenyl)boronic acid?
The IUPAC name of (3-amino-2-cyclopentylphenyl)boronic acid (CID 68783806) is (3-amino-2-cyclopentylphenyl)boronic acid.
What is the SMILES notation for (3-amino-2-cyclopentylphenyl)boronic acid?
The canonical SMILES for (3-amino-2-cyclopentylphenyl)boronic acid is Nc1cccc(B(O)O)c1C1CCCC1.
What is the InChIKey of (3-amino-2-cyclopentylphenyl)boronic acid?
The InChIKey is UXSVZKVDFWWKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BNO2/c13-10-7-3-6-9(12(14)15)11(10)8-4-1-2-5-8/h3,6-8,14-15H,1-2,4-5,13H2.
What are the key properties of (3-amino-2-cyclopentylphenyl)boronic acid?
(3-amino-2-cyclopentylphenyl)boronic acid has a molecular weight of 205.07 g/mol, XLogP of 0.61, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-cyclopentylphenyl)boronic acid is sourced from PubChem (CID 68783806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).