[cyclobutyl(formamido)methyl]boronic acid

C6H12BNO3 — CID 176661836

IUPAC[cyclobutyl(formamido)methyl]boronic acid
SMILESO=CNC(B(O)O)C1CCC1
InChIInChI=1S/C6H12BNO3/c9-4-8-6(7(10)11)5-2-1-3-5/h4-6,10-11H,1-3H2,(H,8,9)
InChIKeyXOMSSSZGOKRCNU-UHFFFAOYSA-N
MW156.98 g/mol
LogP-1.09
Rot. Bonds4

About [cyclobutyl(formamido)methyl]boronic acid

[cyclobutyl(formamido)methyl]boronic acid (PubChem CID 176661836) has the molecular formula C6H12BNO3 and a molecular weight of 156.98 g/mol. Its IUPAC name is [cyclobutyl(formamido)methyl]boronic acid.

Molecular Properties

Compound Name[cyclobutyl(formamido)methyl]boronic acid
PubChem CID176661836
Molecular FormulaC6H12BNO3
Molecular Weight156.98 g/mol
Exact Mass157.09
IUPAC Name[cyclobutyl(formamido)methyl]boronic acid
SMILESO=CNC(B(O)O)C1CCC1
InChIInChI=1S/C6H12BNO3/c9-4-8-6(7(10)11)5-2-1-3-5/h4-6,10-11H,1-3H2,(H,8,9)
InChIKeyXOMSSSZGOKRCNU-UHFFFAOYSA-N
XLogP-1.09
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.98
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [cyclobutyl(formamido)methyl]boronic acid?
The IUPAC name of [cyclobutyl(formamido)methyl]boronic acid (CID 176661836) is [cyclobutyl(formamido)methyl]boronic acid.
What is the SMILES notation for [cyclobutyl(formamido)methyl]boronic acid?
The canonical SMILES for [cyclobutyl(formamido)methyl]boronic acid is O=CNC(B(O)O)C1CCC1.
What is the InChIKey of [cyclobutyl(formamido)methyl]boronic acid?
The InChIKey is XOMSSSZGOKRCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BNO3/c9-4-8-6(7(10)11)5-2-1-3-5/h4-6,10-11H,1-3H2,(H,8,9).
What are the key properties of [cyclobutyl(formamido)methyl]boronic acid?
[cyclobutyl(formamido)methyl]boronic acid has a molecular weight of 156.98 g/mol, XLogP of -1.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclobutyl(formamido)methyl]boronic acid is sourced from PubChem (CID 176661836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).