| CAS Number | 1018283-85-6 |
| Catalog Number | AG019W1Q(AGN-PC-0WODLX) |
| Chemical Name | 4-(pyrrolidine-1-sulfonyl)butanoic acid |
| IUPAC Name | 4-pyrrolidin-1-ylsulfonylbutanoic acid |
| InChI | InChI=1S/C8H15NO4S/c10-8(11)4-3-7-14(12,13)9-5-1-2-6-9/h1-7H2,(H,10,11) |
| InChI Key | PGJFODMCZUGNGA-UHFFFAOYSA-N |
| MDL Number | MFCD10012310 |
| Molecular Formula | C8H15NO4S |
| Molecular Weight | 221.2740 |
| SMILES | OC(CCCS(N1CCCC1)(=O)=O)=O |
| Synonyms | 4-(pyrrolidine-1-sulfonyl)butanoic acid,
1018283-85-6,
AC1Q75JJ,
CTK7J3941,
ZINC19982458,
AKOS009206264,
MCULE-9333602521,
NE20684,
EN300-50180,
Z802671512,
|
| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.271g/mol |
| Monoisotopic Mass | 221.072g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number