| CAS Number | 1183094-41-8 |
| Catalog Number | AG019WZ8(AGN-PC-0WO77P) |
| Chemical Name | 4-(Carbamoylamino)cyclohexane-1-carboxylic acid |
| IUPAC Name | 4-(carbamoylamino)cyclohexane-1-carboxylic acid |
| InChI | InChI=1S/C8H14N2O3/c9-8(13)10-6-3-1-5(2-4-6)7(11)12/h5-6H,1-4H2,(H,11,12)(H3,9,10,13) |
| InChI Key | DRGYUAHMQCQWQJ-UHFFFAOYSA-N |
| MDL Number | MFCD12156991 |
| Molecular Formula | C8H14N2O3 |
| Molecular Weight | 186.2084 |
| SMILES | NC(NC1CCC(C(O)=O)CC1)=O |
| Synonyms | 4-(carbamoylamino)cyclohexane-1-carboxylic acid,
1183094-41-8,
AC1Q4ZW6,
ZINC37472028,
AKOS010025879,
MCULE-3801526350,
NE15436,
EN300-53591,
AB01000546-01,
Z812516888,
4-(carbamoylamino)cyclohexane-1-carboxylic acid, Mixture of diastereomers,
|
| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.211g/mol |
| Monoisotopic Mass | 186.1g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 92.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number