| CAS Number | 674299-62-8 |
| Catalog Number | AG019UU6(AGN-PC-0OG4GM) |
| Chemical Name | 1-(cyclohexylcarbamoyl)pyrrolidine-2-carboxylic Acid |
| IUPAC Name | 1-(cyclohexylcarbamoyl)pyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C12H20N2O3/c15-11(16)10-7-4-8-14(10)12(17)13-9-5-2-1-3-6-9/h9-10H,1-8H2,(H,13,17)(H,15,16) |
| InChI Key | MCMRHIIVSHWBEA-UHFFFAOYSA-N |
| MDL Number | MFCD04212920 |
| Molecular Formula | C12H20N2O3 |
| Molecular Weight | 240.2988 |
| SMILES | O=C(C1N(C(NC2CCCCC2)=O)CCC1)O |
| Synonyms | 1-(cyclohexylcarbamoyl)pyrrolidine-2-carboxylic Acid,
674299-62-8,
AC1MH4EA,
AC1Q74JO,
MLS001000853,
1-(cyclohexyl-carbamoyl)-pyrrolidine-2-carboxylic acid,
SCHEMBL5950255,
HMS2828P06,
1-[(cyclohexylamino)carbonyl]proline,
AKOS000127768,
AKOS016606051,
MCULE-6262664314,
NE60261,
SMR000497786,
EN300-42831,
SR-01000268675,
SR-01000268675-1,
Z235252511,
1-[(cyclohexylamino)carbonyl]-2-pyrrolidinecarboxylic acid,
CID2946062,
|
| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.303g/mol |
| Monoisotopic Mass | 240.147g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number