4-(3-boronopropyl)piperidine-3-carboxylic acid

C9H18BNO4 — CID 155793426

IUPAC4-(3-boronopropyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CNCCC1CCCB(O)O
InChIInChI=1S/C9H18BNO4/c12-9(13)8-6-11-5-3-7(8)2-1-4-10(14)15/h7-8,11,14-15H,1-6H2,(H,12,13)
InChIKeyLAEXHSUWTBMCMU-UHFFFAOYSA-N
MW215.06 g/mol
LogP-0.45
Rot. Bonds5

About 4-(3-boronopropyl)piperidine-3-carboxylic acid

4-(3-boronopropyl)piperidine-3-carboxylic acid (PubChem CID 155793426) has the molecular formula C9H18BNO4 and a molecular weight of 215.06 g/mol. Its IUPAC name is 4-(3-boronopropyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name4-(3-boronopropyl)piperidine-3-carboxylic acid
PubChem CID155793426
Molecular FormulaC9H18BNO4
Molecular Weight215.06 g/mol
Exact Mass215.13
IUPAC Name4-(3-boronopropyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CNCCC1CCCB(O)O
InChIInChI=1S/C9H18BNO4/c12-9(13)8-6-11-5-3-7(8)2-1-4-10(14)15/h7-8,11,14-15H,1-6H2,(H,12,13)
InChIKeyLAEXHSUWTBMCMU-UHFFFAOYSA-N
XLogP-0.45
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 ≤ 5-0.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-boronopropyl)pyrrolidine-3-carboxylic acid
CID 77453645
(2S)-2-(3-boronopropyl)cyclopentane-1-carboxylic acid
CID 69054314
(3R,4S)-4-but-3-enylpiperidine-3-carboxylic acid
CID 127032319
4-(3-boronopropyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylic acid
CID 153341504
4-(3-boronopropyl)-1-methylpyrrolidine-3-carboxylic acid
CID 142389909
acetic acid;methyl 4-(3-hydroxypropyl)piperidine-3-carboxylate
CID 67539276
(3S)-4-methylpiperidine-3-carboxylic acid
CID 67216948
4-hydroxypiperidine-3-carboxylic acid
CID 10261211
1-(2-aminopropanoyl)-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid
CID 145304739
(2R,5S)-2-(3-boronopropyl)-1,4-diazocane-5-carboxylic acid
CID 174137011
2-amino-6-borono-2-pyrrolidin-3-ylhexanoic acid
CID 66833419
1-[azetidin-3-yl(propan-2-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid
CID 154673222

Frequently Asked Questions

What is the IUPAC name of 4-(3-boronopropyl)piperidine-3-carboxylic acid?
The IUPAC name of 4-(3-boronopropyl)piperidine-3-carboxylic acid (CID 155793426) is 4-(3-boronopropyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 4-(3-boronopropyl)piperidine-3-carboxylic acid?
The canonical SMILES for 4-(3-boronopropyl)piperidine-3-carboxylic acid is O=C(O)C1CNCCC1CCCB(O)O.
What is the InChIKey of 4-(3-boronopropyl)piperidine-3-carboxylic acid?
The InChIKey is LAEXHSUWTBMCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BNO4/c12-9(13)8-6-11-5-3-7(8)2-1-4-10(14)15/h7-8,11,14-15H,1-6H2,(H,12,13).
What are the key properties of 4-(3-boronopropyl)piperidine-3-carboxylic acid?
4-(3-boronopropyl)piperidine-3-carboxylic acid has a molecular weight of 215.06 g/mol, XLogP of -0.45, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-boronopropyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 155793426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).