| CAS Number | 3151-49-3 |
| Catalog Number | AG01B27A |
| Chemical Name | 2-(Octylcarbamoyl)acetic acid |
| IUPAC Name | 3-(octylamino)-3-oxopropanoic acid |
| InChI | InChI=1S/C11H21NO3/c1-2-3-4-5-6-7-8-12-10(13)9-11(14)15/h2-9H2,1H3,(H,12,13)(H,14,15) |
| InChI Key | HBVNXRIQVTWNJQ-UHFFFAOYSA-N |
| MDL Number | MFCD24229935 |
| Molecular Formula | C11H21NO3 |
| Molecular Weight | 215.2893 |
| SMILES | C(CCCCCCC)NC(CC(=O)O)=O |
| Synonyms | 2-(octylcarbamoyl)acetic acid,
3151-49-3,
3-(octylamino)-3-oxopropanoic acid,
N-n-octyl malonamic acid,
SCHEMBL2584388,
AKOS033563180,
ZINC126011262,
Z1718768134,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.293g/mol |
| Monoisotopic Mass | 215.152g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number