| CAS Number | 75638-15-2 |
| Catalog Number | AG00GADS(AGN-PC-0WAN14) |
| Chemical Name | (R)-2-((tert-Butoxycarbonyl)amino)propanoic acid hydrate |
| IUPAC Name | (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydrate |
| InChI | InChI=1S/C8H15NO4.H2O/c1-5(6(10)11)9-7(12)13-8(2,3)4;/h5H,1-4H3,(H,9,12)(H,10,11);1H2/t5-;/m1./s1 |
| InChI Key | XIJLMTUFLBSNOT-NUBCRITNSA-N |
| MDL Number | MFCD26383924 |
| Molecular Formula | C8H17NO5 |
| Molecular Weight | 207.2243 |
| SMILES | C[C@@H](NC(OC(C)(C)C)=O)C(O)=O.[H]O[H] |
| Synonyms | (R)-2-((tert-Butoxycarbonyl)amino)propanoic acid hydrate,
75638-15-2,
AK132991,
MFCD26383924,
AKOS016845376,
AS-49926,
AX8254119,
ST2414435,
M-8667,
7764-95-6,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.226g/mol |
| Monoisotopic Mass | 207.111g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 76.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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