2-methylbutan-2-yloxy-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]borinic acid

C15H28BNO4 — CID 142368369

IUPAC2-methylbutan-2-yloxy-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]borinic acid
SMILESCCC(C)(C)OB(O)C1=CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H28BNO4/c1-7-15(5,6)21-16(19)12-8-10-17(11-9-12)13(18)20-14(2,3)4/h8,19H,7,9-11H2,1-6H3
InChIKeyUFJZLRKCYBSVJK-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.78
Rot. Bonds4

About 2-methylbutan-2-yloxy-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]borinic acid

2-methylbutan-2-yloxy-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]borinic acid (PubChem CID 142368369) has the molecular formula C15H28BNO4 and a molecular weight of 297.20 g/mol. Its IUPAC name is 2-methylbutan-2-yloxy-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]borinic acid.

Molecular Properties

Compound Name2-methylbutan-2-yloxy-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]borinic acid
PubChem CID142368369
Molecular FormulaC15H28BNO4
Molecular Weight297.20 g/mol
Exact Mass297.21
IUPAC Name2-methylbutan-2-yloxy-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]borinic acid
SMILESCCC(C)(C)OB(O)C1=CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H28BNO4/c1-7-15(5,6)21-16(19)12-8-10-17(11-9-12)13(18)20-14(2,3)4/h8,19H,7,9-11H2,1-6H3
InChIKeyUFJZLRKCYBSVJK-UHFFFAOYSA-N
XLogP2.78
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methylbutan-2-yloxy-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]borinic acid 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

tert-butyl 4-stannyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 174476603
tert-butyl 4-(2-sulfanylethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 117205631
2,3-dimethylbutane-2,3-diol;[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]oxyboronic acid
CID 175463711
tert-butyl 4-dimethylphosphoryl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 154727855
tert-butyl 4-(1-aminoethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 105484057
tert-butyl 4-(4-aminophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 53415310
tert-butyl 4-pyridin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylate;ethane
CID 144594549
tert-butyl 4-(5-chloropyrimidin-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 170565077
tert-butyl 4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 104954192
tert-butyl 4-pyrimidin-5-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 142573654
tert-butyl 4-(4-amino-2-ethylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 118628442
tert-butyl 4-[(pyridin-4-ylmethylamino)methyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 104954196

Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-yloxy-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]borinic acid?
The IUPAC name of 2-methylbutan-2-yloxy-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]borinic acid (CID 142368369) is 2-methylbutan-2-yloxy-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]borinic acid.
What is the SMILES notation for 2-methylbutan-2-yloxy-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]borinic acid?
The canonical SMILES for 2-methylbutan-2-yloxy-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]borinic acid is CCC(C)(C)OB(O)C1=CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of 2-methylbutan-2-yloxy-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]borinic acid?
The InChIKey is UFJZLRKCYBSVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28BNO4/c1-7-15(5,6)21-16(19)12-8-10-17(11-9-12)13(18)20-14(2,3)4/h8,19H,7,9-11H2,1-6H3.
What are the key properties of 2-methylbutan-2-yloxy-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]borinic acid?
2-methylbutan-2-yloxy-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]borinic acid has a molecular weight of 297.20 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-yloxy-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]borinic acid is sourced from PubChem (CID 142368369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).