(dimethylamino)methylboronic acid

C3H10BNO2 — CID 57416246

IUPAC(dimethylamino)methylboronic acid
SMILESCN(C)CB(O)O
InChIInChI=1S/C3H10BNO2/c1-5(2)3-4(6)7/h6-7H,3H2,1-2H3
InChIKeyGFHFDOKSLVVYNE-UHFFFAOYSA-N
MW102.93 g/mol
LogP-1.44
Rot. Bonds2

About (dimethylamino)methylboronic acid

(dimethylamino)methylboronic acid (PubChem CID 57416246) has the molecular formula C3H10BNO2 and a molecular weight of 102.93 g/mol. Its IUPAC name is (dimethylamino)methylboronic acid.

Molecular Properties

Compound Name(dimethylamino)methylboronic acid
PubChem CID57416246
Molecular FormulaC3H10BNO2
Molecular Weight102.93 g/mol
Exact Mass103.08
IUPAC Name(dimethylamino)methylboronic acid
SMILESCN(C)CB(O)O
InChIInChI=1S/C3H10BNO2/c1-5(2)3-4(6)7/h6-7H,3H2,1-2H3
InChIKeyGFHFDOKSLVVYNE-UHFFFAOYSA-N
XLogP-1.44
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.93
LogP ≤ 5-1.44
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 (dimethylamino)methylboronic acid?
The IUPAC name of (dimethylamino)methylboronic acid (CID 57416246) is (dimethylamino)methylboronic acid.
What is the SMILES notation for (dimethylamino)methylboronic acid?
The canonical SMILES for (dimethylamino)methylboronic acid is CN(C)CB(O)O.
What is the InChIKey of (dimethylamino)methylboronic acid?
The InChIKey is GFHFDOKSLVVYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10BNO2/c1-5(2)3-4(6)7/h6-7H,3H2,1-2H3.
What are the key properties of (dimethylamino)methylboronic acid?
(dimethylamino)methylboronic acid has a molecular weight of 102.93 g/mol, XLogP of -1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (dimethylamino)methylboronic acid is sourced from PubChem (CID 57416246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).