| CAS Number | 201354-26-9 |
| Catalog Number | AG002DCX(AGN-PC-0QS3YM) |
| Chemical Name | Hexanedioic acid, 2-amino-, 6-(1,1-dimethylethyl) ester, (2S)- (9CI) |
| IUPAC Name | (2S)-2-amino-6-[(2-methylpropan-2-yl)oxy]-6-oxohexanoic acid |
| InChI | InChI=1S/C10H19NO4/c1-10(2,3)15-8(12)6-4-5-7(11)9(13)14/h7H,4-6,11H2,1-3H3,(H,13,14)/t7-/m0/s1 |
| InChI Key | WWSDFHPRIJAESZ-ZETCQYMHSA-N |
| MDL Number | MFCD08272285 |
| Molecular Formula | C10H19NO4 |
| Molecular Weight | 217.2622 |
| SMILES | CC(C)(C)OC(=O)CCC[C@H](N)C(O)=O |
| Synonyms | H-AAD(OTBU)-OH,
201354-26-9,
L-alpha-Aminoadipic acid delta-tert-butyl ester,
SCHEMBL12463782,
CTK8F0135,
DTXSID00647454,
WWSDFHPRIJAESZ-ZETCQYMHSA-N,
6-tert-Butoxy-6-oxo-L-norleucine,
ZINC2382564,
MFCD08272285,
AKOS030241728,
RT-013502,
TL8001659,
Z5724,
K-5891,
Hexanedioic acid, 2-amino-, 6-(1,1-dimethylethyl) ester, (S)-,
C10H19NO4,
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| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.265g/mol |
| Monoisotopic Mass | 217.131g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 89.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number