| CAS Number | 1511857-57-0 |
| Catalog Number | AG01DVGV |
| Chemical Name | (S)-2-(1-(tert-Butoxycarbonyl)pyrrolidin-2-yl)oxazole-4-carboxylic acid |
| IUPAC Name | 2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1,3-oxazole-4-carboxylic acid |
| InChI | InChI=1S/C13H18N2O5/c1-13(2,3)20-12(18)15-6-4-5-9(15)10-14-8(7-19-10)11(16)17/h7,9H,4-6H2,1-3H3,(H,16,17)/t9-/m0/s1 |
| InChI Key | VSNMUDHKMKZIBF-VIFPVBQESA-N |
| MDL Number | MFCD28004636 |
| Molecular Formula | C13H18N2O5 |
| Molecular Weight | 282.2924 |
| SMILES | CC(OC(N1[C@H](C2OC=C(C(O)=O)N=2)CCC1)=O)(C)C |
| Synonyms | ACADIASCI AC34081,
2-[(2S)-1-(tert-Butyloxycarbonyl)pyrrolidine-2alpha-yl]oxazole-4-carboxylic acid,
1511857-57-0,
|
| Complexity | 393 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.296g/mol |
| Monoisotopic Mass | 282.122g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 92.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number