3-amino-2-methyl-4-oxoazetidine-1-sulfonic acid

C4H8N2O4S — CID 4133026

IUPAC3-amino-2-methyl-4-oxoazetidine-1-sulfonic acid
SMILESCC1C(N)C(=O)N1S(=O)(=O)O
InChIInChI=1S/C4H8N2O4S/c1-2-3(5)4(7)6(2)11(8,9)10/h2-3H,5H2,1H3,(H,8,9,10)
InChIKeyISUIVWNWEDIHJD-UHFFFAOYSA-N
MW180.19 g/mol
LogP-1.65
Rot. Bonds1

About 3-amino-2-methyl-4-oxoazetidine-1-sulfonic acid

3-amino-2-methyl-4-oxoazetidine-1-sulfonic acid (PubChem CID 4133026) has the molecular formula C4H8N2O4S and a molecular weight of 180.19 g/mol. Its IUPAC name is 3-amino-2-methyl-4-oxoazetidine-1-sulfonic acid.

Molecular Properties

Compound Name3-amino-2-methyl-4-oxoazetidine-1-sulfonic acid
PubChem CID4133026
Molecular FormulaC4H8N2O4S
Molecular Weight180.19 g/mol
Exact Mass180.02
IUPAC Name3-amino-2-methyl-4-oxoazetidine-1-sulfonic acid
SMILESCC1C(N)C(=O)N1S(=O)(=O)O
InChIInChI=1S/C4H8N2O4S/c1-2-3(5)4(7)6(2)11(8,9)10/h2-3H,5H2,1H3,(H,8,9,10)
InChIKeyISUIVWNWEDIHJD-UHFFFAOYSA-N
XLogP-1.65
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.19
LogP ≤ 5-1.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-2-methyl-4-oxoazetidine-1-sulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3S)-3-Amino-2-methyl-4-oxo-1-azetidinesulfonic acid
CID 133361
potassium (3S)-3-acetamido-2-oxoazetidine-1-sulfonate
CID 23680741
3-Amino-2-oxoazetidine-1-sulfonic acid
CID 13019095
(2R,3S)-3-Amino-2-methyl-4-oxo-1-azetidinesulfonic acid
CID 11084475
(3S)-3-acetamido-2-oxoazetidine-1-sulfonic acid
CID 13575142
2-(Fluoromethyl)-4-oxo-3-(pentylamino)azetidine-1-sulfonic acid
CID 70363863
3-Amino-2-oxo-4-(trifluoromethyl)azetidine-1-sulfonic acid
CID 70516556
(2R,3S)-3-amino-2-(fluoromethyl)-4-oxoazetidine-1-sulfonic acid
CID 70537331
Cesium (2s,3s)-3-amino-2-methyl-4-oxoazetidine-1-sulfonate
CID 171665649
(3S)-3-Amino-2-oxoazetidine-1-sulfonic acid
CID 13019096
(2R,3R)-3-amino-2-methyl-4-oxoazetidine-1-sulfonic acid
CID 13146187
(3-Amino-2-methyl-4-oxoazetidin-1-yl) hydrogen sulfate
CID 13232302

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-4-oxoazetidine-1-sulfonic acid?
The IUPAC name of 3-amino-2-methyl-4-oxoazetidine-1-sulfonic acid (CID 4133026) is 3-amino-2-methyl-4-oxoazetidine-1-sulfonic acid.
What is the SMILES notation for 3-amino-2-methyl-4-oxoazetidine-1-sulfonic acid?
The canonical SMILES for 3-amino-2-methyl-4-oxoazetidine-1-sulfonic acid is CC1C(N)C(=O)N1S(=O)(=O)O.
What is the InChIKey of 3-amino-2-methyl-4-oxoazetidine-1-sulfonic acid?
The InChIKey is ISUIVWNWEDIHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O4S/c1-2-3(5)4(7)6(2)11(8,9)10/h2-3H,5H2,1H3,(H,8,9,10).
What are the key properties of 3-amino-2-methyl-4-oxoazetidine-1-sulfonic acid?
3-amino-2-methyl-4-oxoazetidine-1-sulfonic acid has a molecular weight of 180.19 g/mol, XLogP of -1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-4-oxoazetidine-1-sulfonic acid is sourced from PubChem (CID 4133026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).