3-(3-boronopropyl)piperidine-2-carboxylic acid

C9H18BNO4 — CID 147778635

IUPAC3-(3-boronopropyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1NCCCC1CCCB(O)O
InChIInChI=1S/C9H18BNO4/c12-9(13)8-7(4-2-6-11-8)3-1-5-10(14)15/h7-8,11,14-15H,1-6H2,(H,12,13)
InChIKeyHHIOKXYLIHOWKU-UHFFFAOYSA-N
MW215.06 g/mol
LogP-0.31
Rot. Bonds5

About 3-(3-boronopropyl)piperidine-2-carboxylic acid

3-(3-boronopropyl)piperidine-2-carboxylic acid (PubChem CID 147778635) has the molecular formula C9H18BNO4 and a molecular weight of 215.06 g/mol. Its IUPAC name is 3-(3-boronopropyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name3-(3-boronopropyl)piperidine-2-carboxylic acid
PubChem CID147778635
Molecular FormulaC9H18BNO4
Molecular Weight215.06 g/mol
Exact Mass215.13
IUPAC Name3-(3-boronopropyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1NCCCC1CCCB(O)O
InChIInChI=1S/C9H18BNO4/c12-9(13)8-7(4-2-6-11-8)3-1-5-10(14)15/h7-8,11,14-15H,1-6H2,(H,12,13)
InChIKeyHHIOKXYLIHOWKU-UHFFFAOYSA-N
XLogP-0.31
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.06
LogP ≤ 5-0.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-boronopropyl)piperidine-2-carboxylic acid?
The IUPAC name of 3-(3-boronopropyl)piperidine-2-carboxylic acid (CID 147778635) is 3-(3-boronopropyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 3-(3-boronopropyl)piperidine-2-carboxylic acid?
The canonical SMILES for 3-(3-boronopropyl)piperidine-2-carboxylic acid is O=C(O)C1NCCCC1CCCB(O)O.
What is the InChIKey of 3-(3-boronopropyl)piperidine-2-carboxylic acid?
The InChIKey is HHIOKXYLIHOWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BNO4/c12-9(13)8-7(4-2-6-11-8)3-1-5-10(14)15/h7-8,11,14-15H,1-6H2,(H,12,13).
What are the key properties of 3-(3-boronopropyl)piperidine-2-carboxylic acid?
3-(3-boronopropyl)piperidine-2-carboxylic acid has a molecular weight of 215.06 g/mol, XLogP of -0.31, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-boronopropyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 147778635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).