| CAS Number | 412352-66-0 |
| Catalog Number | AG00398Q(AGN-PC-0RQ7VK) |
| Chemical Name | (2S)-2-Methoxy-3-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)Propanoic Acid |
| IUPAC Name | (2S)-2-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid |
| InChI | InChI=1S/C9H17NO5/c1-9(2,3)15-8(13)10-5-6(14-4)7(11)12/h6H,5H2,1-4H3,(H,10,13)(H,11,12)/t6-/m0/s1 |
| InChI Key | JDFAPMRAFUTCBO-LURJTMIESA-N |
| MDL Number | MFCD18831547 |
| Molecular Formula | C9H17NO5 |
| Molecular Weight | 219.2350 |
| SMILES | CO[C@H](C(O)=O)CNC(OC(C)(C)C)=O |
| Synonyms | 412352-66-0,
(S)-3-((tert-Butoxycarbonyl)amino)-2-methoxypropanoic acid,
SCHEMBL7403513,
MFCD18831547,
ZINC39094127,
AKOS022191393,
AS-32948,
(2S)-3-{[(tert-butoxy)carbonyl]amino}-2-methoxypropanoic acid,
Propanoic acid,3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-methoxy-, (2S)-,
(2S)-2-Methoxy-3-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)Propanoic Acid,
Propanoicacid,3-[[ carbonyl]amino]-2-methoxy-, -,
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| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.237g/mol |
| Monoisotopic Mass | 219.111g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 84.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
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