2-methyl-3-(methylamino)-4-oxoazetidine-1-sulfonic acid

C5H10N2O4S — CID 54543869

IUPAC2-methyl-3-(methylamino)-4-oxoazetidine-1-sulfonic acid
SMILESCNC1C(=O)N(S(=O)(=O)O)C1C
InChIInChI=1S/C5H10N2O4S/c1-3-4(6-2)5(8)7(3)12(9,10)11/h3-4,6H,1-2H3,(H,9,10,11)
InChIKeyYPELGJZSTVSZFK-UHFFFAOYSA-N
MW194.21 g/mol
LogP-1.39
Rot. Bonds2

About 2-methyl-3-(methylamino)-4-oxoazetidine-1-sulfonic acid

2-methyl-3-(methylamino)-4-oxoazetidine-1-sulfonic acid (PubChem CID 54543869) has the molecular formula C5H10N2O4S and a molecular weight of 194.21 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-4-oxoazetidine-1-sulfonic acid.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-4-oxoazetidine-1-sulfonic acid
PubChem CID54543869
Molecular FormulaC5H10N2O4S
Molecular Weight194.21 g/mol
Exact Mass194.04
IUPAC Name2-methyl-3-(methylamino)-4-oxoazetidine-1-sulfonic acid
SMILESCNC1C(=O)N(S(=O)(=O)O)C1C
InChIInChI=1S/C5H10N2O4S/c1-3-4(6-2)5(8)7(3)12(9,10)11/h3-4,6H,1-2H3,(H,9,10,11)
InChIKeyYPELGJZSTVSZFK-UHFFFAOYSA-N
XLogP-1.39
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-3-(iodomethoxycarbonylamino)-2-methyl-4-oxoazetidine-1-sulfonic acid
CID 138531927
3-amino-2-methyl-4-oxoazetidine-1-sulfonic acid
CID 4133026
(2S,3S)-3-amino-2-methyl-4-oxoazetidine-1-sulfonic acid
CID 159927921
(2S)-3-[[2-(2-amino-1,3-thiazol-4-yl)-2-oxoacetyl]amino]-2-methyl-4-oxoazetidine-1-sulfonic acid
CID 88511334
(2R,3R)-3-acetamido-2-methylsulfonyl-4-oxoazetidine-1-sulfonic acid
CID 70390987
2-methyl-4-oxo-3-(triazol-1-yl)azetidine-1-sulfonic acid
CID 118393942
4-iodo-5-methyl-2-oxoimidazolidine-1-sulfonic acid
CID 155214696
(2S,3S)-2-methyl-4-oxo-3-(2-oxo-4-sulfanylpyrrolidin-1-yl)azetidine-1-sulfonic acid
CID 168707533
(2S,3S)-3-[[(2Z)-2-(2-aminoethoxyimino)-2-thiophen-2-ylacetyl]amino]-2-methyl-4-oxoazetidine-1-sulfonic acid
CID 15458133
2-[[1-(2-amino-1,3-thiazol-4-yl)-2-[[(2S,3S)-2-methyl-4-oxo-1-sulfoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxy-2-methylpropanoic acid;hydrochloride
CID 175568359
(2S,3S)-3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-methyl-4-oxoazetidine-1-sulfonic acid
CID 168695562
(2S)-3-[[2-(2-amino-1,3-thiazol-4-yl)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyiminoacetyl]amino]-2-methyl-4-oxoazetidine-1-sulfonic acid
CID 91084153

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-4-oxoazetidine-1-sulfonic acid?
The IUPAC name of 2-methyl-3-(methylamino)-4-oxoazetidine-1-sulfonic acid (CID 54543869) is 2-methyl-3-(methylamino)-4-oxoazetidine-1-sulfonic acid.
What is the SMILES notation for 2-methyl-3-(methylamino)-4-oxoazetidine-1-sulfonic acid?
The canonical SMILES for 2-methyl-3-(methylamino)-4-oxoazetidine-1-sulfonic acid is CNC1C(=O)N(S(=O)(=O)O)C1C.
What is the InChIKey of 2-methyl-3-(methylamino)-4-oxoazetidine-1-sulfonic acid?
The InChIKey is YPELGJZSTVSZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O4S/c1-3-4(6-2)5(8)7(3)12(9,10)11/h3-4,6H,1-2H3,(H,9,10,11).
What are the key properties of 2-methyl-3-(methylamino)-4-oxoazetidine-1-sulfonic acid?
2-methyl-3-(methylamino)-4-oxoazetidine-1-sulfonic acid has a molecular weight of 194.21 g/mol, XLogP of -1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-4-oxoazetidine-1-sulfonic acid is sourced from PubChem (CID 54543869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).