| CAS Number | 1397009-48-1 |
| Catalog Number | AG01A8OL(AGN-PC-0WOQV9) |
| Chemical Name | 2-(2-Cyclohexylacetamido)propanoic acid |
| IUPAC Name | 2-[(2-cyclohexylacetyl)amino]propanoic acid |
| InChI | InChI=1S/C11H19NO3/c1-8(11(14)15)12-10(13)7-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15) |
| InChI Key | XYROYDOGHLSWPI-UHFFFAOYSA-N |
| MDL Number | MFCD11170032 |
| Molecular Formula | C11H19NO3 |
| Molecular Weight | 213.2735 |
| SMILES | CC(C(O)=O)NC(CC1CCCCC1)=O |
| Synonyms | 2-(2-cyclohexylacetamido)propanoic acid,
1397009-48-1,
AC1Q2BII,
SCHEMBL6136289,
AKOS008985144,
MCULE-5985840234,
NE19142,
EN300-62181,
Z85890596,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.277g/mol |
| Monoisotopic Mass | 213.136g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number