| CAS Number | 143700-05-4 |
| Catalog Number | AG001I83(AGN-PC-0PUFLE) |
| Chemical Name | 1-Pyrrolidinecarboxylic acid, 3-azido-4-hydroxy-, 1,1-dimethylethyl ester, (3R,4R)-rel- |
| IUPAC Name | tert-butyl (3S,4S)-3-azido-4-hydroxypyrrolidine-1-carboxylate |
| InChI | InChI=1S/C9H16N4O3/c1-9(2,3)16-8(15)13-4-6(11-12-10)7(14)5-13/h6-7,14H,4-5H2,1-3H3/t6-,7-/m0/s1 |
| InChI Key | CSWBTQKOSPXYIE-BQBZGAKWSA-N |
| MDL Number | MFCD09800387 |
| Molecular Formula | C9H16N4O3 |
| Molecular Weight | 228.2483 |
| SMILES | C(=O)(OC(C)(C)C)N1C[C@@H]([C@H](C1)O)N=[N+]=[N-] |
| Synonyms | trans-3-Azido-1-Boc-4-hydroxypyrrolidine,
143700-05-4,
trans-3-azido-4-hydroxy-pyrrolidine-1-carboxylic acid tert-butyl ester,
SCHEMBL13459779,
CSWBTQKOSPXYIE-BQBZGAKWSA-N,
Tert-butyl (3S,4S)-3-azido-4-hydroxy-pyrrolidine-1-carboxylate,
MFCD09800387,
ZINC16696932,
AN-31496,
AS-36163,
RT-016089,
(3S,4S)-N-Boc-3-azido-4-hydroxypyrrolidine,
X-2718,
(3S,4S)-tert-Butyl 3-Azido-4-hydroxypyrrolidine-1-carboxylate,
tert-butyl Trans-3-azido-4-hydroxypyrrolidine-1-carboxylate racemate,
(3S,4S)-3-azido-4-hydroxy-pyrrolidine-1-carboxylic acid tert-butyl ester,
CID11128048,
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| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.252g/mol |
| Monoisotopic Mass | 228.122g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
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