potassium [(2S,6S)-6-azaniumyl-5-oxo-1,7-diphenylheptan-2-yl]-trifluoroboranuide

C19H23BF3KNO+ — CID 159762153

IUPACpotassium [(2S,6S)-6-azaniumyl-5-oxo-1,7-diphenylheptan-2-yl]-trifluoroboranuide
SMILES[K+].[NH3+][C@@H](Cc1ccccc1)C(=O)CC[C@@H](Cc1ccccc1)[B-](F)(F)F
InChIInChI=1S/C19H22BF3NO.K/c21-20(22,23)17(13-15-7-3-1-4-8-15)11-12-19(25)18(24)14-16-9-5-2-6-10-16;/h1-10,17-18H,11-14,24H2;/q-1;+1/p+1/t17-,18-;/m0./s1
InChIKeyMOINNSHFGQAYAX-APTPAJQOSA-O
MW388.30 g/mol
LogP0.65
Rot. Bonds9

About potassium [(2S,6S)-6-azaniumyl-5-oxo-1,7-diphenylheptan-2-yl]-trifluoroboranuide

potassium [(2S,6S)-6-azaniumyl-5-oxo-1,7-diphenylheptan-2-yl]-trifluoroboranuide (PubChem CID 159762153) has the molecular formula C19H23BF3KNO+ and a molecular weight of 388.30 g/mol. Its IUPAC name is potassium [(2S,6S)-6-azaniumyl-5-oxo-1,7-diphenylheptan-2-yl]-trifluoroboranuide.

Molecular Properties

Compound Namepotassium [(2S,6S)-6-azaniumyl-5-oxo-1,7-diphenylheptan-2-yl]-trifluoroboranuide
PubChem CID159762153
Molecular FormulaC19H23BF3KNO+
Molecular Weight388.30 g/mol
Exact Mass388.15
IUPAC Namepotassium [(2S,6S)-6-azaniumyl-5-oxo-1,7-diphenylheptan-2-yl]-trifluoroboranuide
SMILES[K+].[NH3+][C@@H](Cc1ccccc1)C(=O)CC[C@@H](Cc1ccccc1)[B-](F)(F)F
InChIInChI=1S/C19H22BF3NO.K/c21-20(22,23)17(13-15-7-3-1-4-8-15)11-12-19(25)18(24)14-16-9-5-2-6-10-16;/h1-10,17-18H,11-14,24H2;/q-1;+1/p+1/t17-,18-;/m0./s1
InChIKeyMOINNSHFGQAYAX-APTPAJQOSA-O
XLogP0.65
TPSA44.71 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.30
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze potassium [(2S,6S)-6-azaniumyl-5-oxo-1,7-diphenylheptan-2-yl]-trifluoroboranuide with MolForge

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Related Compounds

[1-[(2-azaniumyl-3-phenylpropanoyl)amino]-4-phenylbutan-2-yl]-trifluoroboranuide
CID 163421062
(2S)-2-azaniumyl-3-phenylpropanoate
CID 6925665
[(2S)-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]azanium chloride
CID 10515061
[(2R,6S)-3-oxo-1,7-diphenyl-6-[(2R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]heptan-2-yl]azanium
CID 159726600
[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]azanium
CID 23548413
[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]azanium chloride
CID 11138497
(1-oxo-3-phenyl-1-propan-2-yloxypropan-2-yl)azanium chloride
CID 2827639
(2R)-2-azaniumyl-4-methylsulfanylbutanoate;(2S)-2-azaniumyl-3-phenylpropanoate
CID 139060676
[(2S)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]azanium
CID 7015206
[(2R)-5-methoxy-5-oxo-1-phenylpentan-2-yl]azanium
CID 162451826
[3-(4-hydroxyphenyl)-1-oxo-1-phenylmethoxypropan-2-yl]azanium
CID 4052014
[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxopropan-2-yl]azanium
CID 156619966

Frequently Asked Questions

What is the IUPAC name of potassium [(2S,6S)-6-azaniumyl-5-oxo-1,7-diphenylheptan-2-yl]-trifluoroboranuide?
The IUPAC name of potassium [(2S,6S)-6-azaniumyl-5-oxo-1,7-diphenylheptan-2-yl]-trifluoroboranuide (CID 159762153) is potassium [(2S,6S)-6-azaniumyl-5-oxo-1,7-diphenylheptan-2-yl]-trifluoroboranuide.
What is the SMILES notation for potassium [(2S,6S)-6-azaniumyl-5-oxo-1,7-diphenylheptan-2-yl]-trifluoroboranuide?
The canonical SMILES for potassium [(2S,6S)-6-azaniumyl-5-oxo-1,7-diphenylheptan-2-yl]-trifluoroboranuide is [K+].[NH3+][C@@H](Cc1ccccc1)C(=O)CC[C@@H](Cc1ccccc1)[B-](F)(F)F.
What is the InChIKey of potassium [(2S,6S)-6-azaniumyl-5-oxo-1,7-diphenylheptan-2-yl]-trifluoroboranuide?
The InChIKey is MOINNSHFGQAYAX-APTPAJQOSA-O. The full InChI is InChI=1S/C19H22BF3NO.K/c21-20(22,23)17(13-15-7-3-1-4-8-15)11-12-19(25)18(24)14-16-9-5-2-6-10-16;/h1-10,17-18H,11-14,24H2;/q-1;+1/p+1/t17-,18-;/m0./s1.
What are the key properties of potassium [(2S,6S)-6-azaniumyl-5-oxo-1,7-diphenylheptan-2-yl]-trifluoroboranuide?
potassium [(2S,6S)-6-azaniumyl-5-oxo-1,7-diphenylheptan-2-yl]-trifluoroboranuide has a molecular weight of 388.30 g/mol, XLogP of 0.65, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium [(2S,6S)-6-azaniumyl-5-oxo-1,7-diphenylheptan-2-yl]-trifluoroboranuide is sourced from PubChem (CID 159762153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).