2-amino-6-borono-2-piperidin-4-ylhexanoic acid

C11H23BN2O4 — CID 66833182

IUPAC2-amino-6-borono-2-piperidin-4-ylhexanoic acid
SMILESNC(CCCCB(O)O)(C(=O)O)C1CCNCC1
InChIInChI=1S/C11H23BN2O4/c13-11(10(15)16,5-1-2-6-12(17)18)9-3-7-14-8-4-9/h9,14,17-18H,1-8,13H2,(H,15,16)
InChIKeyFCXWVVAHJVUIQP-UHFFFAOYSA-N
MW258.13 g/mol
LogP-0.59
Rot. Bonds7

About 2-amino-6-borono-2-piperidin-4-ylhexanoic acid

2-amino-6-borono-2-piperidin-4-ylhexanoic acid (PubChem CID 66833182) has the molecular formula C11H23BN2O4 and a molecular weight of 258.13 g/mol. Its IUPAC name is 2-amino-6-borono-2-piperidin-4-ylhexanoic acid.

Molecular Properties

Compound Name2-amino-6-borono-2-piperidin-4-ylhexanoic acid
PubChem CID66833182
Molecular FormulaC11H23BN2O4
Molecular Weight258.13 g/mol
Exact Mass258.18
IUPAC Name2-amino-6-borono-2-piperidin-4-ylhexanoic acid
SMILESNC(CCCCB(O)O)(C(=O)O)C1CCNCC1
InChIInChI=1S/C11H23BN2O4/c13-11(10(15)16,5-1-2-6-12(17)18)9-3-7-14-8-4-9/h9,14,17-18H,1-8,13H2,(H,15,16)
InChIKeyFCXWVVAHJVUIQP-UHFFFAOYSA-N
XLogP-0.59
TPSA115.81 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.13
LogP ≤ 5-0.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-6-borono-2-[1-(3-methylbutyl)piperidin-4-yl]hexanoic acid
CID 66833380
2-Amino-2-(8-azabicyclo[3.2.1]octan-3-yl)-6-boronohexanoic acid
CID 71554539
3-(3-Boronopropyl)piperidine-2-carboxylic acid
CID 147778635
(2S,3R)-3-(3-boronopropyl)-2-(2-piperidin-1-ylethyl)pyrrolidine-2-carboxylic acid
CID 164620702
(3R,5S)-3-amino-5-(2-boronoethyl)piperidine-3-carboxylic acid
CID 141723863
US10098902, Example 6
CID 57331351
US10098902, Example 7
CID 57331352
3-[(2~{S},3~{R})-2-carboxypiperidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide
CID 156600265
2-Amino-6-borono-2-(3-piperazin-1-ylpropyl)hexanoic acid;2,2,2-trifluoroacetic acid
CID 68006772
2-Piperidin-4-yldecanedioic acid
CID 20080691
2-Amino-3-(piperidin-3-yl)propanoic acid
CID 22035578
(2S)-2-butan-2-ylpiperidine-2-carboxylic acid
CID 25029922

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-borono-2-piperidin-4-ylhexanoic acid?
The IUPAC name of 2-amino-6-borono-2-piperidin-4-ylhexanoic acid (CID 66833182) is 2-amino-6-borono-2-piperidin-4-ylhexanoic acid.
What is the SMILES notation for 2-amino-6-borono-2-piperidin-4-ylhexanoic acid?
The canonical SMILES for 2-amino-6-borono-2-piperidin-4-ylhexanoic acid is NC(CCCCB(O)O)(C(=O)O)C1CCNCC1.
What is the InChIKey of 2-amino-6-borono-2-piperidin-4-ylhexanoic acid?
The InChIKey is FCXWVVAHJVUIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23BN2O4/c13-11(10(15)16,5-1-2-6-12(17)18)9-3-7-14-8-4-9/h9,14,17-18H,1-8,13H2,(H,15,16).
What are the key properties of 2-amino-6-borono-2-piperidin-4-ylhexanoic acid?
2-amino-6-borono-2-piperidin-4-ylhexanoic acid has a molecular weight of 258.13 g/mol, XLogP of -0.59, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-borono-2-piperidin-4-ylhexanoic acid is sourced from PubChem (CID 66833182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).