| CAS Number | 174465-38-4 |
| Catalog Number | AG00AS1F(AGN-PC-0O4XQX) |
| Chemical Name | 1-cyclohexanecarbonylpyrrolidine-2-carboxylic acid |
| IUPAC Name | (2S)-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C12H19NO3/c14-11(9-5-2-1-3-6-9)13-8-4-7-10(13)12(15)16/h9-10H,1-8H2,(H,15,16)/t10-/m0/s1 |
| InChI Key | HAKVQQRIKXMAJZ-JTQLQIEISA-N |
| MDL Number | MFCD12795274 |
| Molecular Formula | C12H19NO3 |
| Molecular Weight | 225.2842 |
| SMILES | C1CCC(CC1)C(=O)N2CCC[C@H]2C(=O)O |
| Synonyms | 1-(cyclohexylcarbonyl)-L-proline,
(S)-1-(Cyclohexanecarbonyl)pyrrolidine-2-carboxylic acid,
174465-38-4,
AC1LU6ZR,
SCHEMBL5743117,
ZINC1447055,
MFCD12795274,
AKOS010373431,
Y-7221,
(2S)-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxylic acid,
CID1522268,
1-(cyclohexanecarbonyl)pyrrolidine-2-carboxylic Acid,
|
| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.288g/mol |
| Monoisotopic Mass | 225.136g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number