| CAS Number | 1183933-50-7 |
| Catalog Number | AG01A985 |
| Chemical Name | 4-Cyclopentaneamidocyclohexane-1-carboxylic acid |
| IUPAC Name | 4-(cyclopentanecarbonylamino)cyclohexane-1-carboxylic acid |
| InChI | InChI=1S/C13H21NO3/c15-12(9-3-1-2-4-9)14-11-7-5-10(6-8-11)13(16)17/h9-11H,1-8H2,(H,14,15)(H,16,17) |
| InChI Key | NNXYDJWKJMGXKS-UHFFFAOYSA-N |
| MDL Number | MFCD12727559 |
| Molecular Formula | C13H21NO3 |
| Molecular Weight | 239.3107 |
| SMILES | OC(C1CCC(NC(C2CCCC2)=O)CC1)=O |
| Synonyms | 4-cyclopentaneamidocyclohexane-1-carboxylic acid,
1183933-50-7,
AC1Q74ES,
ZINC37561225,
AKOS010025681,
MCULE-3443200607,
NE25083,
EN300-64439,
Z234897181,
4-cyclopentaneamidocyclohexane-1-carboxylic acid, Mixture of diastereomers,
|
| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.315g/mol |
| Monoisotopic Mass | 239.152g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number