| CAS Number | 1198320-35-2 |
| Catalog Number | AG01ALBZ |
| Chemical Name | tert-butyl (3S)-3-{[(tert-butoxy)carbonyl]amino}-3-cyanopropanoate |
| IUPAC Name | tert-butyl (3S)-3-cyano-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate |
| InChI | InChI=1S/C13H22N2O4/c1-12(2,3)18-10(16)7-9(8-14)15-11(17)19-13(4,5)6/h9H,7H2,1-6H3,(H,15,17)/t9-/m0/s1 |
| InChI Key | YHQGGLCCSOSZCJ-VIFPVBQESA-N |
| MDL Number | MFCD28954317 |
| Molecular Formula | C13H22N2O4 |
| Molecular Weight | 270.3248 |
| SMILES | C(C)(C)(C)OC(=O)N[C@@H](CC(=O)OC(C)(C)C)C#N |
| Synonyms | tert-butyl (3S)-3-{[(tert-butoxy)carbonyl]amino}-3-cyanopropanoate,
1198320-35-2,
SCHEMBL165351,
YHQGGLCCSOSZCJ-VIFPVBQESA-N,
ZINC113237542,
EN300-220136,
(S)-tert-butyl 3-(tert-butoxycarbonylamino)-3-cyanopropanoate,
|
| Complexity | 382 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.157957g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.32g/mol |
| Monoisotopic Mass | 270.157957g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 88.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number