3-[(2S,3R)-2-carboxypiperidin-3-yl]propyl-trihydroxyboranuide

C9H19BNO5- — CID 156600265

IUPAC3-[(2S,3R)-2-carboxypiperidin-3-yl]propyl-trihydroxyboranuide
SMILESO=C(O)[C@H]1NCCC[C@H]1CCC[B-](O)(O)O
InChIInChI=1S/C9H19BNO5/c12-9(13)8-7(4-2-6-11-8)3-1-5-10(14,15)16/h7-8,11,14-16H,1-6H2,(H,12,13)/q-1/t7-,8+/m1/s1
InChIKeyWAXQJKOVLQGAHJ-SFYZADRCSA-N
MW232.06 g/mol
LogP-0.86
Rot. Bonds5

About 3-[(2S,3R)-2-carboxypiperidin-3-yl]propyl-trihydroxyboranuide

3-[(2S,3R)-2-carboxypiperidin-3-yl]propyl-trihydroxyboranuide (PubChem CID 156600265) has the molecular formula C9H19BNO5- and a molecular weight of 232.06 g/mol. Its IUPAC name is 3-[(2S,3R)-2-carboxypiperidin-3-yl]propyl-trihydroxyboranuide.

Molecular Properties

Compound Name3-[(2S,3R)-2-carboxypiperidin-3-yl]propyl-trihydroxyboranuide
PubChem CID156600265
Molecular FormulaC9H19BNO5-
Molecular Weight232.06 g/mol
Exact Mass232.14
IUPAC Name3-[(2S,3R)-2-carboxypiperidin-3-yl]propyl-trihydroxyboranuide
SMILESO=C(O)[C@H]1NCCC[C@H]1CCC[B-](O)(O)O
InChIInChI=1S/C9H19BNO5/c12-9(13)8-7(4-2-6-11-8)3-1-5-10(14,15)16/h7-8,11,14-16H,1-6H2,(H,12,13)/q-1/t7-,8+/m1/s1
InChIKeyWAXQJKOVLQGAHJ-SFYZADRCSA-N
XLogP-0.86
TPSA110.02 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.06
LogP ≤ 5-0.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(2S,3R)-2-carboxypiperidin-3-yl]propyl-trihydroxyboranuide 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 3-[(2S,3R)-2-carboxypiperidin-3-yl]propyl-trihydroxyboranuide?
The IUPAC name of 3-[(2S,3R)-2-carboxypiperidin-3-yl]propyl-trihydroxyboranuide (CID 156600265) is 3-[(2S,3R)-2-carboxypiperidin-3-yl]propyl-trihydroxyboranuide.
What is the SMILES notation for 3-[(2S,3R)-2-carboxypiperidin-3-yl]propyl-trihydroxyboranuide?
The canonical SMILES for 3-[(2S,3R)-2-carboxypiperidin-3-yl]propyl-trihydroxyboranuide is O=C(O)[C@H]1NCCC[C@H]1CCC[B-](O)(O)O.
What is the InChIKey of 3-[(2S,3R)-2-carboxypiperidin-3-yl]propyl-trihydroxyboranuide?
The InChIKey is WAXQJKOVLQGAHJ-SFYZADRCSA-N. The full InChI is InChI=1S/C9H19BNO5/c12-9(13)8-7(4-2-6-11-8)3-1-5-10(14,15)16/h7-8,11,14-16H,1-6H2,(H,12,13)/q-1/t7-,8+/m1/s1.
What are the key properties of 3-[(2S,3R)-2-carboxypiperidin-3-yl]propyl-trihydroxyboranuide?
3-[(2S,3R)-2-carboxypiperidin-3-yl]propyl-trihydroxyboranuide has a molecular weight of 232.06 g/mol, XLogP of -0.86, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,3R)-2-carboxypiperidin-3-yl]propyl-trihydroxyboranuide is sourced from PubChem (CID 156600265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).