| CAS Number | 112674-65-4 |
| Catalog Number | AG01DI7T(AGN-PC-0NXZC6) |
| Chemical Name | (S)-2-Acetamido-4,4-dimethylpentanoic acid |
| IUPAC Name | (2S)-2-acetamido-4,4-dimethylpentanoic acid |
| InChI | InChI=1S/C9H17NO3/c1-6(11)10-7(8(12)13)5-9(2,3)4/h7H,5H2,1-4H3,(H,10,11)(H,12,13)/t7-/m0/s1 |
| InChI Key | DGGQDBMYIWFFHL-ZETCQYMHSA-N |
| MDL Number | MFCD18833993 |
| Molecular Formula | C9H17NO3 |
| Molecular Weight | 187.2362 |
| SMILES | CC(C)(C)C[C@@H](C(O)=O)NC(C)=O |
| Synonyms | 112674-65-4,
(S)-2-Acetamido-4,4-dimethylpentanoic acid,
(2S)-2-ACETAMIDO-4,4-DIMETHYLPENTANOIC ACID,
N-acetyl-(4-methylleucine),
SCHEMBL16841996,
AS-65585,
ACN-026288,
2-acetamido-4,4-dimethylpentanoic acid,
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| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.120843g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.24g/mol |
| Monoisotopic Mass | 187.120843g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number