| CAS Number | 1013794-47-2 |
| Catalog Number | AG01EKAP |
| Chemical Name | 1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxylic acid |
| IUPAC Name | 1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C10H11N3O3/c14-9(7-6-11-3-4-12-7)13-5-1-2-8(13)10(15)16/h3-4,6,8H,1-2,5H2,(H,15,16) |
| InChI Key | DFLQHIYHFWXOOW-UHFFFAOYSA-N |
| MDL Number | MFCD09043478 |
| Molecular Formula | C10H11N3O3 |
| Molecular Weight | 221.2126 |
| SMILES | OC(C1N(C(C2=NC=CN=C2)=O)CCC1)=O |
| Synonyms | 1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxylic acid,
1-(pyrazin-2-ylcarbonyl)pyrrolidine-2-carboxylic acid,
AC1Q74JE,
CTK7I9662,
1013794-47-2,
AKOS002434030,
AKOS022260347,
MCULE-3670097097,
NE61178,
EN300-28947,
1-[(pyrazin-2-yl)carbonyl]pyrrolidine-2-carboxylic acid,
Z1172115945,
|
| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.216g/mol |
| Monoisotopic Mass | 221.08g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 83.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
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Certificate of Analysis
Lot Number