CID 58409164

C4H11BNO — CID 58409164

IUPAC—
SMILESC[CH]CNB(C)O
InChIInChI=1S/C4H11BNO/c1-3-4-6-5(2)7/h3,6-7H,4H2,1-2H3
InChIKeyDZJHPYGLOSURIH-UHFFFAOYSA-N
MW99.95 g/mol
LogP-0.09
Rot. Bonds3

About CID 58409164

CID 58409164 (PubChem CID 58409164) has the molecular formula C4H11BNO and a molecular weight of 99.95 g/mol.

Molecular Properties

Compound NameCID 58409164
PubChem CID58409164
Molecular FormulaC4H11BNO
Molecular Weight99.95 g/mol
Exact Mass100.09
IUPAC Name—
SMILESC[CH]CNB(C)O
InChIInChI=1S/C4H11BNO/c1-3-4-6-5(2)7/h3,6-7H,4H2,1-2H3
InChIKeyDZJHPYGLOSURIH-UHFFFAOYSA-N
XLogP-0.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.95
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 58409164 with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-hydroxyethyl)-methylboronamidic acid
CID 59110557
N-(3-aminopropyl)-methylboronamidic acid
CID 58781361
N-[(2R)-2-fluoro-3-oxopropyl]-methylboronamidic acid
CID 58093306
N-[2-(2-hydroxyethoxy)ethyl]-methylboronamidic acid
CID 123589940
N-(6-hydroxy-5-methylhexyl)-methylboronamidic acid
CID 59798856
acetaldehyde;ethane;methane;methylboronic acid
CID 160616162
CID 58583120
CID 58583120
N-(cyclohexylmethyl)-methylboronamidic acid;N-methylethanamine
CID 91001756
N-[2-[(E)-10-acetyloxydec-5-enoxy]-2-oxoethyl]-methylboronamidic acid
CID 22088316
N-[2-(3-formyl-4-hydroxyphenyl)ethyl]-methylboronamidic acid
CID 166045297
CID 159329141
CID 159329141
N-[2-(2-amino-2-oxoethyl)-4-methylpentyl]-methylboronamidic acid
CID 22970370

Frequently Asked Questions

What is the IUPAC name of CID 58409164?
The IUPAC name of CID 58409164 (CID 58409164) is not available.
What is the SMILES notation for CID 58409164?
The canonical SMILES for CID 58409164 is C[CH]CNB(C)O.
What is the InChIKey of CID 58409164?
The InChIKey is DZJHPYGLOSURIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11BNO/c1-3-4-6-5(2)7/h3,6-7H,4H2,1-2H3.
What are the key properties of CID 58409164?
CID 58409164 has a molecular weight of 99.95 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58409164 is sourced from PubChem (CID 58409164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).