| CAS Number | 1052649-77-0 |
| Catalog Number | AG008Y6I(AGN-PC-0WBOHP) |
| Chemical Name | H-D-DAB(BOC)-OME HCL |
| IUPAC Name | methyl (2R)-2-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;hydrochloride |
| InChI | InChI=1S/C10H20N2O4.ClH/c1-10(2,3)16-9(14)12-6-5-7(11)8(13)15-4;/h7H,5-6,11H2,1-4H3,(H,12,14);1H/t7-;/m1./s1 |
| InChI Key | XETISTBVDHNRBD-OGFXRTJISA-N |
| MDL Number | MFCD08275859 |
| Molecular Formula | C10H21ClN2O4 |
| Molecular Weight | 268.7377 |
| SMILES | O=C(OC)[C@H](N)CCNC(OC(C)(C)C)=O.[H]Cl |
| Synonyms | H-D-Dab(Boc)-Ome HCl,
1052649-77-0,
C10H20N2O4.HCl,
SCHEMBL2848022,
N-gamma-(t-Butyloxycarbonyl)-L-2,4-diaminobutyric acid methyl ester hydrochloride,
7102AH,
MFCD08275859,
A-8177,
I14-15369,
Ng-Boc-D-2,4-diaminobutyric acid methyl ester hydrochloride,
|
| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.119g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.738g/mol |
| Monoisotopic Mass | 268.119g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 90.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number