| CAS Number | 176164-02-6 |
| Catalog Number | AG00HZOU |
| Chemical Name | H-L-Asp-otbu hcl |
| IUPAC Name | (3S)-3-amino-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;hydrochloride |
| InChI | InChI=1S/C8H15NO4.ClH/c1-8(2,3)13-7(12)5(9)4-6(10)11;/h5H,4,9H2,1-3H3,(H,10,11);1H/t5-;/m0./s1 |
| InChI Key | UIGULSHPWYAWSA-JEDNCBNOSA-N |
| MDL Number | MFCD00153424 |
| Molecular Formula | C8H16ClNO4 |
| Molecular Weight | 225.6699 |
| SMILES | C(=O)(OC(C)(C)C)[C@@H](N)CC(=O)O.Cl |
| Synonyms | H-L-ASP-OTBU HCL,
176164-02-6,
h-d-asp-otbu.hcl,
L-Aspartic Acid 1-tert-Butyl Ester Hydrochloride,
SCHEMBL6700554,
KM5598,
MFCD00153424,
AKOS015909547,
L-Aspartic acid alpha-t-butyl ester hydrochloride,
I14-32626,
UIGULSHPWYAWSA-JEDNCBNOSA-N,
A7123,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.669g/mol |
| Monoisotopic Mass | 225.077g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 89.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number