ethylboronamidic acid

C2H8BNO — CID 21334156

IUPACethylboronamidic acid
SMILESCCB(N)O
InChIInChI=1S/C2H8BNO/c1-2-3(4)5/h5H,2,4H2,1H3
InChIKeySWEQYFJNNNXCOS-UHFFFAOYSA-N
MW72.90 g/mol
LogP-0.55
Rot. Bonds1

About ethylboronamidic acid

ethylboronamidic acid (PubChem CID 21334156) has the molecular formula C2H8BNO and a molecular weight of 72.90 g/mol. Its IUPAC name is ethylboronamidic acid.

Molecular Properties

Compound Nameethylboronamidic acid
PubChem CID21334156
Molecular FormulaC2H8BNO
Molecular Weight72.90 g/mol
Exact Mass73.07
IUPAC Nameethylboronamidic acid
SMILESCCB(N)O
InChIInChI=1S/C2H8BNO/c1-2-3(4)5/h5H,2,4H2,1H3
InChIKeySWEQYFJNNNXCOS-UHFFFAOYSA-N
XLogP-0.55
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50072.90
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methylboronamidic acid
CID 18341614
hydrogen peroxide;propane
CID 18348147
ethane;methanamine;propane
CID 91195053
ethane;methanol;propane
CID 91023482
ethanol;propane
CID 158736248
methanediamine;propane
CID 157068020
CID 173079153
CID 173079153
CID 6327572
CID 6327572
ethanol;fluoroboronic acid
CID 173291774
lithium;boric acid;ethanol;chloride
CID 174961340
methane;propane
CID 160994941
propane trihydroxide
CID 18172989

Frequently Asked Questions

What is the IUPAC name of ethylboronamidic acid?
The IUPAC name of ethylboronamidic acid (CID 21334156) is ethylboronamidic acid.
What is the SMILES notation for ethylboronamidic acid?
The canonical SMILES for ethylboronamidic acid is CCB(N)O.
What is the InChIKey of ethylboronamidic acid?
The InChIKey is SWEQYFJNNNXCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8BNO/c1-2-3(4)5/h5H,2,4H2,1H3.
What are the key properties of ethylboronamidic acid?
ethylboronamidic acid has a molecular weight of 72.90 g/mol, XLogP of -0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylboronamidic acid is sourced from PubChem (CID 21334156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).