potassium 3-amino-2-methyl-4-oxoazetidine-1-sulfonate

C4H7KN2O4S — CID 158795309

IUPACpotassium 3-amino-2-methyl-4-oxoazetidine-1-sulfonate
SMILESCC1C(N)C(=O)N1S(=O)(=O)[O-].[K+]
InChIInChI=1S/C4H8N2O4S.K/c1-2-3(5)4(7)6(2)11(8,9)10;/h2-3H,5H2,1H3,(H,8,9,10);/q;+1/p-1
InChIKeySRGPVKRQYRUCGX-UHFFFAOYSA-M
MW218.27 g/mol
LogP-4.99
Rot. Bonds1

About potassium 3-amino-2-methyl-4-oxoazetidine-1-sulfonate

potassium 3-amino-2-methyl-4-oxoazetidine-1-sulfonate (PubChem CID 158795309) has the molecular formula C4H7KN2O4S and a molecular weight of 218.27 g/mol. Its IUPAC name is potassium 3-amino-2-methyl-4-oxoazetidine-1-sulfonate.

Molecular Properties

Compound Namepotassium 3-amino-2-methyl-4-oxoazetidine-1-sulfonate
PubChem CID158795309
Molecular FormulaC4H7KN2O4S
Molecular Weight218.27 g/mol
Exact Mass217.98
IUPAC Namepotassium 3-amino-2-methyl-4-oxoazetidine-1-sulfonate
SMILESCC1C(N)C(=O)N1S(=O)(=O)[O-].[K+]
InChIInChI=1S/C4H8N2O4S.K/c1-2-3(5)4(7)6(2)11(8,9)10;/h2-3H,5H2,1H3,(H,8,9,10);/q;+1/p-1
InChIKeySRGPVKRQYRUCGX-UHFFFAOYSA-M
XLogP-4.99
TPSA103.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 5-4.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-methyl-4-oxoazetidine-1-sulfonic acid
CID 4133026
(2S,3S)-3-amino-2-methyl-4-oxoazetidine-1-sulfonic acid
CID 159927921
potassium (2S,3S)-2-methyl-4-oxo-3-(phenylmethoxycarbonylamino)azetidine-1-sulfonate
CID 23708792
sodium 2-methyl-4-oxoazetidine-1-sulfonate
CID 172744786
(3-amino-2-methyl-4-oxoazetidin-1-yl) sulfite
CID 174597454
acetic acid;(2S,3S)-2-acetyloxy-3-amino-4-oxoazetidine-1-sulfonic acid
CID 70390525
hydrazine sulfate
CID 10103185
(3S,4S)-3-amino-4-methyl-1-(2H-tetrazol-5-yl)azetidin-2-one
CID 13273833
2-[(2S,3S)-3-amino-2-methyl-4-oxoazetidine-1-carbonyl]oxyacetic acid
CID 45089619
(3S,4R)-3-amino-1-hydroxy-4-methylpyrrolidin-2-one
CID 92980363
2-methyl-3-(methylamino)-4-oxoazetidine-1-sulfonic acid
CID 54543869
1-(bromomethylsulfonyl)-3,4,5-trimethylpyrrolidin-2-one
CID 131223544

Frequently Asked Questions

What is the IUPAC name of potassium 3-amino-2-methyl-4-oxoazetidine-1-sulfonate?
The IUPAC name of potassium 3-amino-2-methyl-4-oxoazetidine-1-sulfonate (CID 158795309) is potassium 3-amino-2-methyl-4-oxoazetidine-1-sulfonate.
What is the SMILES notation for potassium 3-amino-2-methyl-4-oxoazetidine-1-sulfonate?
The canonical SMILES for potassium 3-amino-2-methyl-4-oxoazetidine-1-sulfonate is CC1C(N)C(=O)N1S(=O)(=O)[O-].[K+].
What is the InChIKey of potassium 3-amino-2-methyl-4-oxoazetidine-1-sulfonate?
The InChIKey is SRGPVKRQYRUCGX-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8N2O4S.K/c1-2-3(5)4(7)6(2)11(8,9)10;/h2-3H,5H2,1H3,(H,8,9,10);/q;+1/p-1.
What are the key properties of potassium 3-amino-2-methyl-4-oxoazetidine-1-sulfonate?
potassium 3-amino-2-methyl-4-oxoazetidine-1-sulfonate has a molecular weight of 218.27 g/mol, XLogP of -4.99, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-amino-2-methyl-4-oxoazetidine-1-sulfonate is sourced from PubChem (CID 158795309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).