potassium [(2-amino-2-oxoethyl)-propan-2-ylamino]methyl-trifluoroboranuide

C6H13BF3KN2O — CID 63703594

IUPACpotassium [(2-amino-2-oxoethyl)-propan-2-ylamino]methyl-trifluoroboranuide
SMILESCC(C)N(CC(N)=O)C[B-](F)(F)F.[K+]
InChIInChI=1S/C6H13BF3N2O.K/c1-5(2)12(3-6(11)13)4-7(8,9)10;/h5H,3-4H2,1-2H3,(H2,11,13);/q-1;+1
InChIKeyGAMFBDUCQSFRGC-UHFFFAOYSA-N
MW236.09 g/mol
LogP-2.43
Rot. Bonds5

About potassium [(2-amino-2-oxoethyl)-propan-2-ylamino]methyl-trifluoroboranuide

potassium [(2-amino-2-oxoethyl)-propan-2-ylamino]methyl-trifluoroboranuide (PubChem CID 63703594) has the molecular formula C6H13BF3KN2O and a molecular weight of 236.09 g/mol. Its IUPAC name is potassium [(2-amino-2-oxoethyl)-propan-2-ylamino]methyl-trifluoroboranuide.

Molecular Properties

Compound Namepotassium [(2-amino-2-oxoethyl)-propan-2-ylamino]methyl-trifluoroboranuide
PubChem CID63703594
Molecular FormulaC6H13BF3KN2O
Molecular Weight236.09 g/mol
Exact Mass236.07
IUPAC Namepotassium [(2-amino-2-oxoethyl)-propan-2-ylamino]methyl-trifluoroboranuide
SMILESCC(C)N(CC(N)=O)C[B-](F)(F)F.[K+]
InChIInChI=1S/C6H13BF3N2O.K/c1-5(2)12(3-6(11)13)4-7(8,9)10;/h5H,3-4H2,1-2H3,(H2,11,13);/q-1;+1
InChIKeyGAMFBDUCQSFRGC-UHFFFAOYSA-N
XLogP-2.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.09
LogP ≤ 5-2.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 potassium [(2-amino-2-oxoethyl)-propan-2-ylamino]methyl-trifluoroboranuide?
The IUPAC name of potassium [(2-amino-2-oxoethyl)-propan-2-ylamino]methyl-trifluoroboranuide (CID 63703594) is potassium [(2-amino-2-oxoethyl)-propan-2-ylamino]methyl-trifluoroboranuide.
What is the SMILES notation for potassium [(2-amino-2-oxoethyl)-propan-2-ylamino]methyl-trifluoroboranuide?
The canonical SMILES for potassium [(2-amino-2-oxoethyl)-propan-2-ylamino]methyl-trifluoroboranuide is CC(C)N(CC(N)=O)C[B-](F)(F)F.[K+].
What is the InChIKey of potassium [(2-amino-2-oxoethyl)-propan-2-ylamino]methyl-trifluoroboranuide?
The InChIKey is GAMFBDUCQSFRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13BF3N2O.K/c1-5(2)12(3-6(11)13)4-7(8,9)10;/h5H,3-4H2,1-2H3,(H2,11,13);/q-1;+1.
What are the key properties of potassium [(2-amino-2-oxoethyl)-propan-2-ylamino]methyl-trifluoroboranuide?
potassium [(2-amino-2-oxoethyl)-propan-2-ylamino]methyl-trifluoroboranuide has a molecular weight of 236.09 g/mol, XLogP of -2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium [(2-amino-2-oxoethyl)-propan-2-ylamino]methyl-trifluoroboranuide is sourced from PubChem (CID 63703594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).