| CAS Number | 1008006-09-4 |
| Catalog Number | AG008TTR |
| Chemical Name | 1-[4-(morpholine-4-sulfonyl)-2-nitrophenyl]pyrrolidine-2-carboxylic acid |
| IUPAC Name | 1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)pyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C15H19N3O7S/c19-15(20)13-2-1-5-17(13)12-4-3-11(10-14(12)18(21)22)26(23,24)16-6-8-25-9-7-16/h3-4,10,13H,1-2,5-9H2,(H,19,20) |
| InChI Key | VLXKCNCMNNMBSV-UHFFFAOYSA-N |
| MDL Number | MFCD03988566 |
| Molecular Formula | C15H19N3O7S |
| Molecular Weight | 385.3923 |
| SMILES | O=C(C1N(C2=CC=C(S(=O)(N3CCOCC3)=O)C=C2[N+]([O-])=O)CCC1)O |
| Synonyms | 1008006-09-4,
1-[4-(Morpholine-4-sulfonyl)-2-nitro-phenyl]-pyrrolidine-2-carboxylic acid,
1-[4-(morpholine-4-sulfonyl)-2-nitrophenyl]pyrrolidine-2-carboxylic acid,
1-(4-(Morpholinosulfonyl)-2-nitrophenyl)pyrrolidine-2-carboxylic acid,
(2S)-1-[4-(MORPHOLINE-4-SULFONYL)-2-NITROPHENYL]PYRROLIDINE-2-CARBOXYLIC ACID,
1214629-60-3,
AC1MWJVL,
AC1Q74JQ,
CTK7I9709,
AKOS027427045,
MCULE-6533734683,
NE19040,
EN300-04881,
SR-01000044070,
SR-01000044070-1,
Z56921835,
1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)pyrrolidine-2-carboxylic acid,
CID3800423,
1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)pyrrolidine-2-carboxylic Acid,
|
| Complexity | 639 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 385.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 385.391g/mol |
| Monoisotopic Mass | 385.094g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 141A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number