| CAS Number | 849935-83-7 |
| Catalog Number | AG00IDHU(AGN-PC-0UWBX2) |
| Chemical Name | 1,3-Pyrrolidinedicarboxylic acid, 4-hydroxy-, 1-(1,1-dimethylethyl)3-ethyl ester, (3R,4S)-rel- |
| IUPAC Name | 1-O-tert-butyl 3-O-ethyl (3R,4S)-4-hydroxypyrrolidine-1,3-dicarboxylate |
| InChI | InChI=1S/C12H21NO5/c1-5-17-10(15)8-6-13(7-9(8)14)11(16)18-12(2,3)4/h8-9,14H,5-7H2,1-4H3/t8-,9-/m1/s1 |
| InChI Key | JHBUFXKTKCCCKA-RKDXNWHRSA-N |
| MDL Number | MFCD23105897 |
| Molecular Formula | C12H21NO5 |
| Molecular Weight | 259.2988 |
| SMILES | C(=O)(OCC)[C@@H]1CN(C[C@H]1O)C(=O)OC(C)(C)C |
| Synonyms | Ethyl trans-1-Boc-4-hydroxypyrrolidine-3-carboxylate,
849935-83-7,
1-tert-butyl 3-ethyl trans-4-hydroxypyrrolidine-1,3-dicarboxylate,
(3R,4S)-1-tert-butyl 3-ethyl 4-hydroxypyrrolidine-1,3-dicarboxylate,
MFCD23105897,
SCHEMBL19063838,
ZINC51971688,
PB38241,
SB20492,
AS-34645,
CS-0052381,
Q-2141,
1523541-94-7,
|
| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.302g/mol |
| Monoisotopic Mass | 259.142g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 76.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number