| CAS Number | 389889-72-9 |
| Catalog Number | AG00CKC0(AGN-PC-0RIC0L) |
| Chemical Name | (S)-TERT-BUTYL 3-(2-HYDROXYETHYL)PYRROLIDINE-1-CARBOXYLATE |
| IUPAC Name | tert-butyl (3S)-3-(2-hydroxyethyl)pyrrolidine-1-carboxylate |
| InChI | InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-6-4-9(8-12)5-7-13/h9,13H,4-8H2,1-3H3/t9-/m0/s1 |
| InChI Key | OYRWWTPZWOPIOO-VIFPVBQESA-N |
| MDL Number | MFCD09833161 |
| Molecular Formula | C11H21NO3 |
| Molecular Weight | 215.2893 |
| SMILES | OCC[C@H]1CN(CC1)C(=O)OC(C)(C)C |
| Synonyms | 389889-72-9,
(S)-tert-butyl 3-(2-hydroxyethyl)pyrrolidine-1-carboxylate,
(S)-1-Boc-3-(2-hydroxyethyl)pyrrolidine,
SCHEMBL6398279,
OYRWWTPZWOPIOO-VIFPVBQESA-N,
MFCD09833161,
ZINC22009711,
FCH3643512,
AJ-80409,
AK173184,
AM100752,
AS-39251,
BC202140,
1-Boc-(S)-3-(2-Hydroxyethyl)pyrrolidine,
CS-0079249,
t-butyl(3S)-3-(2-hydroxyethyl)pyrrolidine-1-carboxylate,
t-butyl (3S)-3-(2-hydroxyethyl)pyrrolidine-1-carboxylate,
tert-Butyl (S)-3-(2-hydroxyethyl)pyrrolidine-1-carboxylate,
(S)-tert-butyl-3-(2-hydroxyethyl)pyrrolidine-1-carboxylate,
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| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.293g/mol |
| Monoisotopic Mass | 215.152g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.8A^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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