| CAS Number | 22146-59-4 |
| Catalog Number | AG01C136 |
| Chemical Name | (S)-2-Acetamido-3,3-dimethylbutanoic acid |
| IUPAC Name | (2S)-2-acetamido-3,3-dimethylbutanoic acid |
| InChI | InChI=1S/C8H15NO3/c1-5(10)9-6(7(11)12)8(2,3)4/h6H,1-4H3,(H,9,10)(H,11,12)/t6-/m1/s1 |
| InChI Key | WPPXAQGLXQAVTE-ZCFIWIBFSA-N |
| MDL Number | MFCD08275827 |
| Molecular Formula | C8H15NO3 |
| Molecular Weight | 173.2096 |
| SMILES | CC(N[C@H](C(O)=O)C(C)(C)C)=O |
| Synonyms | Ac-Tle-OH,
(2S)-2-acetamido-3,3-dimethylbutanoic acid,
22146-59-4,
N-acetyl-l-t-leucine,
N-acetyl-L-tert-leucine,
3-Methyl-N-acetyl-L-valine,
N-alpha-Acetyl-L-tert-leucine,
SCHEMBL2515799,
CTK6A0318,
WPPXAQGLXQAVTE-ZCFIWIBFSA-N,
CM0143,
ZINC12505196,
(S)-N-ACETYL-2-AMINO-3,3-DIMETHYL-BUTYRIC ACID,
Methylcarbonyl-L-t-Leucine,
Methyl Carbonyl L-tert Leucine,
CID11469346,
(2R)-2-acetamido-3,3-dimethyl-butanoic Acid,
162537-11-3,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.105193g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.21g/mol |
| Monoisotopic Mass | 173.105193g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number