| CAS Number | 54011-39-1 |
| Catalog Number | AG00DM2E(AGN-PC-0OBZQR) |
| Chemical Name | Methyl 2-amino-5-methyl-3-oxohexanoate |
| IUPAC Name | methyl 2-amino-5-methyl-3-oxohexanoate |
| InChI | InChI=1S/C8H15NO3/c1-5(2)4-6(10)7(9)8(11)12-3/h5,7H,4,9H2,1-3H3 |
| InChI Key | AEUWYJYBFZJNDG-UHFFFAOYSA-N |
| MDL Number | MFCD17676897 |
| Molecular Formula | C8H15NO3 |
| Molecular Weight | 173.2096 |
| SMILES | NC(C(=O)OC)C(CC(C)C)=O |
| Synonyms | Methyl 2-amino-5-methyl-3-oxohexanoate,
54011-39-1,
SCHEMBL13437368,
MFCD17676897,
AKOS015899328,
4CH-000532,
I14-12565,
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| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.212g/mol |
| Monoisotopic Mass | 173.105g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 69.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
Lot Number