| CAS Number | 1955520-32-7 |
| Catalog Number | AG01C52N |
| Chemical Name | 3-(sulfamoylmethyl)oxetane-3-carboxylic acid |
| IUPAC Name | 3-(sulfamoylmethyl)oxetane-3-carboxylic acid |
| InChI | InChI=1S/C5H9NO5S/c6-12(9,10)3-5(4(7)8)1-11-2-5/h1-3H2,(H,7,8)(H2,6,9,10) |
| InChI Key | KRKWUDQYRUTIFP-UHFFFAOYSA-N |
| MDL Number | MFCD30180386 |
| Molecular Formula | C5H9NO5S |
| Molecular Weight | 195.1937 |
| SMILES | NS(CC1(C(O)=O)COC1)(=O)=O |
| Synonyms | 3-(sulfamoylmethyl)oxetane-3-carboxylic acid,
1955520-32-7,
ZINC407985564,
|
| Complexity | 286 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.189g/mol |
| Monoisotopic Mass | 195.02g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 115A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.1 |
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