| CAS Number | 88224-27-5 |
| Catalog Number | AG004B86(AGN-PC-0OLJSI) |
| Chemical Name | (3S)-3-{[(tert-butoxy)carbonyl]amino}-4-oxo-4-(prop-2-en-1-yloxy)butanoic acid |
| IUPAC Name | (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-prop-2-enoxybutanoate |
| InChI | InChI=1S/C12H19NO6/c1-5-6-18-10(16)8(7-9(14)15)13-11(17)19-12(2,3)4/h5,8H,1,6-7H2,2-4H3,(H,13,17)(H,14,15)/p-1/t8-/m0/s1 |
| InChI Key | IAEZDRCCBIEBCS-QMMMGPOBSA-M |
| MDL Number | MFCD29076636 |
| Molecular Formula | C12H19NO6 |
| Molecular Weight | 273.2824 |
| SMILES | CC(OC(N[C@H](C(OCC=C)=O)CC(O)=O)=O)(C)C |
| Synonyms | 88224-27-5,
L-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 1-(2-propenyl) ester,
CTK3B5720,
DTXSID70829583,
(3S)-3-[(tert-Butoxycarbonyl)amino]-4-oxo-4-[(prop-2-en-1-yl)oxy]butanoate,
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| Complexity | 352 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.113g/mol |
| Formal Charge | -1 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.277g/mol |
| Monoisotopic Mass | 272.113g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 105A^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
Lot Number