| CAS Number | 1555902-65-2 |
| Catalog Number | AG01C98M |
| Chemical Name | 3-((3-((tert-Butoxycarbonyl)amino)propyl)thio)propanoic acid |
| IUPAC Name | 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylsulfanyl]propanoic acid |
| InChI | InChI=1S/C11H21NO4S/c1-11(2,3)16-10(15)12-6-4-7-17-8-5-9(13)14/h4-8H2,1-3H3,(H,12,15)(H,13,14) |
| InChI Key | HIVGKEQMXBMKOR-UHFFFAOYSA-N |
| MDL Number | MFCD26733160 |
| Molecular Formula | C11H21NO4S |
| Molecular Weight | 263.3537 |
| SMILES | C(C)(C)(C)OC(=O)NCCCSCCC(=O)O |
| Synonyms | 1555902-65-2,
3-[(3-{[(tert-butoxy)carbonyl]amino}propyl)sulfanyl]propanoic acid,
A1-08331,
3-(3-tert-Butoxycarbonylamino-propylsulfanyl)-propionic acid,
|
| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.119g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.352g/mol |
| Monoisotopic Mass | 263.119g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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