(5-carbamoylcyclooctyl)boronic acid

C9H18BNO3 — CID 163749096

IUPAC(5-carbamoylcyclooctyl)boronic acid
SMILESNC(=O)C1CCCC(B(O)O)CCC1
InChIInChI=1S/C9H18BNO3/c11-9(12)7-3-1-5-8(10(13)14)6-2-4-7/h7-8,13-14H,1-6H2,(H2,11,12)
InChIKeyLOLPFXQJRZNYNZ-UHFFFAOYSA-N
MW199.06 g/mol
LogP0.29
Rot. Bonds2

About (5-carbamoylcyclooctyl)boronic acid

(5-carbamoylcyclooctyl)boronic acid (PubChem CID 163749096) has the molecular formula C9H18BNO3 and a molecular weight of 199.06 g/mol. Its IUPAC name is (5-carbamoylcyclooctyl)boronic acid.

Molecular Properties

Compound Name(5-carbamoylcyclooctyl)boronic acid
PubChem CID163749096
Molecular FormulaC9H18BNO3
Molecular Weight199.06 g/mol
Exact Mass199.14
IUPAC Name(5-carbamoylcyclooctyl)boronic acid
SMILESNC(=O)C1CCCC(B(O)O)CCC1
InChIInChI=1S/C9H18BNO3/c11-9(12)7-3-1-5-8(10(13)14)6-2-4-7/h7-8,13-14H,1-6H2,(H2,11,12)
InChIKeyLOLPFXQJRZNYNZ-UHFFFAOYSA-N
XLogP0.29
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.06
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5-carbamoylcyclooctyl)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-carbamoylcyclooctyl)boronic acid?
The IUPAC name of (5-carbamoylcyclooctyl)boronic acid (CID 163749096) is (5-carbamoylcyclooctyl)boronic acid.
What is the SMILES notation for (5-carbamoylcyclooctyl)boronic acid?
The canonical SMILES for (5-carbamoylcyclooctyl)boronic acid is NC(=O)C1CCCC(B(O)O)CCC1.
What is the InChIKey of (5-carbamoylcyclooctyl)boronic acid?
The InChIKey is LOLPFXQJRZNYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BNO3/c11-9(12)7-3-1-5-8(10(13)14)6-2-4-7/h7-8,13-14H,1-6H2,(H2,11,12).
What are the key properties of (5-carbamoylcyclooctyl)boronic acid?
(5-carbamoylcyclooctyl)boronic acid has a molecular weight of 199.06 g/mol, XLogP of 0.29, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-carbamoylcyclooctyl)boronic acid is sourced from PubChem (CID 163749096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).