[(1R)-1-amino-2-phenylethyl]boronic acid

C8H12BNO2 — CID 46937069

IUPAC[(1R)-1-amino-2-phenylethyl]boronic acid
SMILESN[C@@H](Cc1ccccc1)B(O)O
InChIInChI=1S/C8H12BNO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,11-12H,6,10H2/t8-/m0/s1
InChIKeyOAZCLPVPUZOYGA-QMMMGPOBSA-N
MW165.00 g/mol
LogP-0.43
Rot. Bonds3

About [(1R)-1-amino-2-phenylethyl]boronic acid

[(1R)-1-amino-2-phenylethyl]boronic acid (PubChem CID 46937069) has the molecular formula C8H12BNO2 and a molecular weight of 165.00 g/mol. Its IUPAC name is [(1R)-1-amino-2-phenylethyl]boronic acid.

Molecular Properties

Compound Name[(1R)-1-amino-2-phenylethyl]boronic acid
PubChem CID46937069
Molecular FormulaC8H12BNO2
Molecular Weight165.00 g/mol
Exact Mass165.10
IUPAC Name[(1R)-1-amino-2-phenylethyl]boronic acid
SMILESN[C@@H](Cc1ccccc1)B(O)O
InChIInChI=1S/C8H12BNO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,11-12H,6,10H2/t8-/m0/s1
InChIKeyOAZCLPVPUZOYGA-QMMMGPOBSA-N
XLogP-0.43
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.00
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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3-Phenylpropylamine
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1-Methyl-3-phenylpropylamine
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2-Phenylethylamine hydrochloride
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Benzenebutanamine
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p-Methylphenethylamine
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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-amino-2-phenylethyl]boronic acid?
The IUPAC name of [(1R)-1-amino-2-phenylethyl]boronic acid (CID 46937069) is [(1R)-1-amino-2-phenylethyl]boronic acid.
What is the SMILES notation for [(1R)-1-amino-2-phenylethyl]boronic acid?
The canonical SMILES for [(1R)-1-amino-2-phenylethyl]boronic acid is N[C@@H](Cc1ccccc1)B(O)O.
What is the InChIKey of [(1R)-1-amino-2-phenylethyl]boronic acid?
The InChIKey is OAZCLPVPUZOYGA-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H12BNO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,11-12H,6,10H2/t8-/m0/s1.
What are the key properties of [(1R)-1-amino-2-phenylethyl]boronic acid?
[(1R)-1-amino-2-phenylethyl]boronic acid has a molecular weight of 165.00 g/mol, XLogP of -0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-amino-2-phenylethyl]boronic acid is sourced from PubChem (CID 46937069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).