cyclopropylcarbamoyloxy(phenyl)borinic acid

C10H12BNO3 — CID 66579196

IUPACcyclopropylcarbamoyloxy(phenyl)borinic acid
SMILESO=C(NC1CC1)OB(O)c1ccccc1
InChIInChI=1S/C10H12BNO3/c13-10(12-9-6-7-9)15-11(14)8-4-2-1-3-5-8/h1-5,9,14H,6-7H2,(H,12,13)
InChIKeyZDBDAIRRBIIFNN-UHFFFAOYSA-N
MW205.02 g/mol
LogP0.26
Rot. Bonds3

About cyclopropylcarbamoyloxy(phenyl)borinic acid

cyclopropylcarbamoyloxy(phenyl)borinic acid (PubChem CID 66579196) has the molecular formula C10H12BNO3 and a molecular weight of 205.02 g/mol. Its IUPAC name is cyclopropylcarbamoyloxy(phenyl)borinic acid.

Molecular Properties

Compound Namecyclopropylcarbamoyloxy(phenyl)borinic acid
PubChem CID66579196
Molecular FormulaC10H12BNO3
Molecular Weight205.02 g/mol
Exact Mass205.09
IUPAC Namecyclopropylcarbamoyloxy(phenyl)borinic acid
SMILESO=C(NC1CC1)OB(O)c1ccccc1
InChIInChI=1S/C10H12BNO3/c13-10(12-9-6-7-9)15-11(14)8-4-2-1-3-5-8/h1-5,9,14H,6-7H2,(H,12,13)
InChIKeyZDBDAIRRBIIFNN-UHFFFAOYSA-N
XLogP0.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.02
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopropylcarbamoyloxy(phenyl)borinic acid?
The IUPAC name of cyclopropylcarbamoyloxy(phenyl)borinic acid (CID 66579196) is cyclopropylcarbamoyloxy(phenyl)borinic acid.
What is the SMILES notation for cyclopropylcarbamoyloxy(phenyl)borinic acid?
The canonical SMILES for cyclopropylcarbamoyloxy(phenyl)borinic acid is O=C(NC1CC1)OB(O)c1ccccc1.
What is the InChIKey of cyclopropylcarbamoyloxy(phenyl)borinic acid?
The InChIKey is ZDBDAIRRBIIFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BNO3/c13-10(12-9-6-7-9)15-11(14)8-4-2-1-3-5-8/h1-5,9,14H,6-7H2,(H,12,13).
What are the key properties of cyclopropylcarbamoyloxy(phenyl)borinic acid?
cyclopropylcarbamoyloxy(phenyl)borinic acid has a molecular weight of 205.02 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylcarbamoyloxy(phenyl)borinic acid is sourced from PubChem (CID 66579196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).