| CAS Number | 77004-76-3 |
| Catalog Number | AG00ICSE(AGN-PC-0UAWAN) |
| Chemical Name | 1-tert-butyl 4-methyl (2R)-2-{[(tert-butoxy)carbonyl]amino}butanedioate |
| IUPAC Name | 1-O-tert-butyl 4-O-methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate |
| InChI | InChI=1S/C14H25NO6/c1-13(2,3)20-11(17)9(8-10(16)19-7)15-12(18)21-14(4,5)6/h9H,8H2,1-7H3,(H,15,18)/t9-/m1/s1 |
| InChI Key | VQBQQLCEXJJCSY-SECBINFHSA-N |
| MDL Number | MFCD27578243 |
| Molecular Formula | C14H25NO6 |
| Molecular Weight | 303.3514 |
| SMILES | COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C |
| Synonyms | 77004-76-3,
1-tert-butyl 4-methyl (2R)-2-{[(tert-butoxy)carbonyl]amino}butanedioate,
(R)-1-tert-Butyl 4-methyl 2-((tert-butoxycarbonyl)amino)succinate,
ZINC97756734,
AKOS027439705,
D-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 1-(1,1-dimethylethyl)4-methyl ester,
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| Complexity | 391 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.355g/mol |
| Monoisotopic Mass | 303.168g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 90.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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