[5-(aminomethyl)furan-2-yl]boronic acid

C5H8BNO3 — CID 82502463

IUPAC[5-(aminomethyl)furan-2-yl]boronic acid
SMILESNCc1ccc(B(O)O)o1
InChIInChI=1S/C5H8BNO3/c7-3-4-1-2-5(10-4)6(8)9/h1-2,8-9H,3,7H2
InChIKeyTYDMLQCIJISNAB-UHFFFAOYSA-N
MW140.94 g/mol
LogP-1.58
Rot. Bonds2

About [5-(aminomethyl)furan-2-yl]boronic acid

[5-(aminomethyl)furan-2-yl]boronic acid (PubChem CID 82502463) has the molecular formula C5H8BNO3 and a molecular weight of 140.94 g/mol. Its IUPAC name is [5-(aminomethyl)furan-2-yl]boronic acid.

Molecular Properties

Compound Name[5-(aminomethyl)furan-2-yl]boronic acid
PubChem CID82502463
Molecular FormulaC5H8BNO3
Molecular Weight140.94 g/mol
Exact Mass141.06
IUPAC Name[5-(aminomethyl)furan-2-yl]boronic acid
SMILESNCc1ccc(B(O)O)o1
InChIInChI=1S/C5H8BNO3/c7-3-4-1-2-5(10-4)6(8)9/h1-2,8-9H,3,7H2
InChIKeyTYDMLQCIJISNAB-UHFFFAOYSA-N
XLogP-1.58
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.94
LogP ≤ 5-1.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [5-(aminomethyl)furan-2-yl]boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)furan-2-yl]boronic acid?
The IUPAC name of [5-(aminomethyl)furan-2-yl]boronic acid (CID 82502463) is [5-(aminomethyl)furan-2-yl]boronic acid.
What is the SMILES notation for [5-(aminomethyl)furan-2-yl]boronic acid?
The canonical SMILES for [5-(aminomethyl)furan-2-yl]boronic acid is NCc1ccc(B(O)O)o1.
What is the InChIKey of [5-(aminomethyl)furan-2-yl]boronic acid?
The InChIKey is TYDMLQCIJISNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BNO3/c7-3-4-1-2-5(10-4)6(8)9/h1-2,8-9H,3,7H2.
What are the key properties of [5-(aminomethyl)furan-2-yl]boronic acid?
[5-(aminomethyl)furan-2-yl]boronic acid has a molecular weight of 140.94 g/mol, XLogP of -1.58, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)furan-2-yl]boronic acid is sourced from PubChem (CID 82502463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).