| CAS Number | 87884-14-8 |
| Catalog Number | AG01C730(AGN-PC-0VHFRN) |
| Chemical Name | Methyl (2S)-2-{[(tert-butoxy)carbonyl]amino}-4-oxobutanoate |
| IUPAC Name | methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate |
| InChI | InChI=1S/C10H17NO5/c1-10(2,3)16-9(14)11-7(5-6-12)8(13)15-4/h6-7H,5H2,1-4H3,(H,11,14) |
| InChI Key | YRBARHABTATAFQ-UHFFFAOYSA-N |
| MDL Number | MFCD22681775 |
| Molecular Formula | C10H17NO5 |
| Molecular Weight | 231.2457 |
| SMILES | C(C)(C)(C)OC(=O)N[C@H](C(=O)OC)CC=O |
| Synonyms | methyl (2S)-2-{[(tert-butoxy)carbonyl]amino}-4-oxobutanoate,
87884-14-8,
SCHEMBL1583887,
|
| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.248g/mol |
| Monoisotopic Mass | 231.111g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 81.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
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