aminooxy-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]borinic acid

C11H16BNO4 — CID 67264387

IUPACaminooxy-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]borinic acid
SMILESCC(C)(C)OC(=O)c1ccccc1B(O)ON
InChIInChI=1S/C11H16BNO4/c1-11(2,3)16-10(14)8-6-4-5-7-9(8)12(15)17-13/h4-7,15H,13H2,1-3H3
InChIKeyRRLDWVUEACDFBS-UHFFFAOYSA-N
MW237.06 g/mol
LogP0.22
Rot. Bonds3

About aminooxy-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]borinic acid

aminooxy-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]borinic acid (PubChem CID 67264387) has the molecular formula C11H16BNO4 and a molecular weight of 237.06 g/mol. Its IUPAC name is aminooxy-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]borinic acid.

Molecular Properties

Compound Nameaminooxy-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]borinic acid
PubChem CID67264387
Molecular FormulaC11H16BNO4
Molecular Weight237.06 g/mol
Exact Mass237.12
IUPAC Nameaminooxy-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]borinic acid
SMILESCC(C)(C)OC(=O)c1ccccc1B(O)ON
InChIInChI=1S/C11H16BNO4/c1-11(2,3)16-10(14)8-6-4-5-7-9(8)12(15)17-13/h4-7,15H,13H2,1-3H3
InChIKeyRRLDWVUEACDFBS-UHFFFAOYSA-N
XLogP0.22
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.06
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-(2-oxoazetidin-1-yl)benzoate
CID 13400014
CID 71111006
CID 71111006
tert-butyl 2-hydroxybenzoate;cobalt
CID 70348779
1-O-butyl 2-O-tert-butyl benzene-1,2-dicarboxylate
CID 154264600
[5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]boronic acid
CID 167728053
tert-butyl 2-(2-phenylethynyl)benzoate
CID 11334935
ditert-butyl 2-dimethoxyboranylbenzene-1,3-dicarboxylate
CID 101443525
2-[2-carboxy-6-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]peroxybenzene-1,3-dicarboxylic acid
CID 54118881
2,3-dimethylbutane-2,3-diol;(2-methoxycarbonylphenyl)boronic acid
CID 175026663
tert-butyl 2-fluorosulfanylbenzoate
CID 175320456
tert-butyl 2-(2-hydroxyethyl)benzoate
CID 139709867
2-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid
CID 69125479

Frequently Asked Questions

What is the IUPAC name of aminooxy-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]borinic acid?
The IUPAC name of aminooxy-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]borinic acid (CID 67264387) is aminooxy-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]borinic acid.
What is the SMILES notation for aminooxy-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]borinic acid?
The canonical SMILES for aminooxy-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]borinic acid is CC(C)(C)OC(=O)c1ccccc1B(O)ON.
What is the InChIKey of aminooxy-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]borinic acid?
The InChIKey is RRLDWVUEACDFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BNO4/c1-11(2,3)16-10(14)8-6-4-5-7-9(8)12(15)17-13/h4-7,15H,13H2,1-3H3.
What are the key properties of aminooxy-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]borinic acid?
aminooxy-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]borinic acid has a molecular weight of 237.06 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for aminooxy-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]borinic acid is sourced from PubChem (CID 67264387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).