9-borabicyclo[3.3.1]nonan-9-yl (2S)-2-aminopropanoate

C11H20BNO2 — CID 14019573

IUPAC9-borabicyclo[3.3.1]nonan-9-yl (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)OB1C2CCCC1CCC2
InChIInChI=1S/C11H20BNO2/c1-8(13)11(14)15-12-9-4-2-5-10(12)7-3-6-9/h8-10H,2-7,13H2,1H3/t8-,9?,10?/m0/s1
InChIKeySBOXXANCUGRWNG-IDKOKCKLSA-N
MW209.10 g/mol
LogP1.98
Rot. Bonds2

About 9-borabicyclo[3.3.1]nonan-9-yl (2S)-2-aminopropanoate

9-borabicyclo[3.3.1]nonan-9-yl (2S)-2-aminopropanoate (PubChem CID 14019573) has the molecular formula C11H20BNO2 and a molecular weight of 209.10 g/mol. Its IUPAC name is 9-borabicyclo[3.3.1]nonan-9-yl (2S)-2-aminopropanoate.

Molecular Properties

Compound Name9-borabicyclo[3.3.1]nonan-9-yl (2S)-2-aminopropanoate
PubChem CID14019573
Molecular FormulaC11H20BNO2
Molecular Weight209.10 g/mol
Exact Mass209.16
IUPAC Name9-borabicyclo[3.3.1]nonan-9-yl (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)OB1C2CCCC1CCC2
InChIInChI=1S/C11H20BNO2/c1-8(13)11(14)15-12-9-4-2-5-10(12)7-3-6-9/h8-10H,2-7,13H2,1H3/t8-,9?,10?/m0/s1
InChIKeySBOXXANCUGRWNG-IDKOKCKLSA-N
XLogP1.98
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.10
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9-borabicyclo[3.3.1]nonan-9-yl (2S)-2-aminopropanoate 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

9-borabicyclo[3.3.1]nonan-9-yl methyl carbonate
CID 132555879
cyclobutyl (2S)-2-aminopropanoate
CID 45086620
[(1S,2S)-2-methylcyclohexyl] (2R)-2-aminopropanoate
CID 70403752
1-cyclohexylethyl (2S)-2-aminopropanoate
CID 165176376
cycloheptyl 2-aminopropanoate;hydrochloride
CID 74957485
cyclohexyl 2-aminopropanoate;ethene
CID 144654176
2-amino-N-(2,6-dimethylcyclohexyl)propanamide
CID 86248959
[(2R)-2-aminopropanoyl] (2R)-2-aminopropanoate
CID 54111393
(3-ethylcyclohexyl) (2R)-2-aminopropanoate
CID 78967083
(2R)-2-amino-1-(8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 130949881
2-amino-N-cyclooctyl-N-methylpropanamide
CID 83630474
methyl 2-aminopropanoate
CID 159707893

Frequently Asked Questions

What is the IUPAC name of 9-borabicyclo[3.3.1]nonan-9-yl (2S)-2-aminopropanoate?
The IUPAC name of 9-borabicyclo[3.3.1]nonan-9-yl (2S)-2-aminopropanoate (CID 14019573) is 9-borabicyclo[3.3.1]nonan-9-yl (2S)-2-aminopropanoate.
What is the SMILES notation for 9-borabicyclo[3.3.1]nonan-9-yl (2S)-2-aminopropanoate?
The canonical SMILES for 9-borabicyclo[3.3.1]nonan-9-yl (2S)-2-aminopropanoate is C[C@H](N)C(=O)OB1C2CCCC1CCC2.
What is the InChIKey of 9-borabicyclo[3.3.1]nonan-9-yl (2S)-2-aminopropanoate?
The InChIKey is SBOXXANCUGRWNG-IDKOKCKLSA-N. The full InChI is InChI=1S/C11H20BNO2/c1-8(13)11(14)15-12-9-4-2-5-10(12)7-3-6-9/h8-10H,2-7,13H2,1H3/t8-,9?,10?/m0/s1.
What are the key properties of 9-borabicyclo[3.3.1]nonan-9-yl (2S)-2-aminopropanoate?
9-borabicyclo[3.3.1]nonan-9-yl (2S)-2-aminopropanoate has a molecular weight of 209.10 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-borabicyclo[3.3.1]nonan-9-yl (2S)-2-aminopropanoate is sourced from PubChem (CID 14019573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).