| CAS Number | 120571-59-7 |
| Catalog Number | AG008V0T(AGN-PC-0PEVYN) |
| Chemical Name | Boc,Bzl-D-Ala-OH |
| IUPAC Name | (2R)-2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid |
| InChI | InChI=1S/C15H21NO4/c1-11(13(17)18)16(14(19)20-15(2,3)4)10-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H,17,18)/t11-/m1/s1 |
| InChI Key | MYGPVQDUOSMACR-LLVKDONJSA-N |
| MDL Number | MFCD08274497 |
| Molecular Formula | C16H23NO4 |
| Molecular Weight | 293.3581 |
| SMILES | COC([C@H](N(C(OC(C)(C)C)=O)CC1=CC=CC=C1)C)=O |
| Synonyms | BOC,BZL-D-ALA-OH,
120571-59-7,
N-T-BUTYLOXYCARBONYL-N-BENZYL-D-ALANINE,
Boc-Bzl-D-Ala-OH, AldrichCPR,
CTK5J1475,
6227AH,
MFCD08274497,
ZINC12954828,
AKOS027393033,
K-1459,
(2R)-2-{benzyl[(tert-butoxy)carbonyl]amino}propanoic acid,
C15H21NO4,
|
| Complexity | 342 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.336g/mol |
| Monoisotopic Mass | 279.147g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number