| CAS Number | 664364-34-5 |
| Catalog Number | AG00IBLQ(AGN-PC-0TKUD5) |
| Chemical Name | 1,3-Pyrrolidinedicarboxylic acid, 2-methyl-, 1-(1,1-dimethylethyl) ester,(2S,3S)- |
| IUPAC Name | (2S,3S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid |
| InChI | InChI=1S/C11H19NO4/c1-7-8(9(13)14)5-6-12(7)10(15)16-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,14)/t7-,8-/m0/s1 |
| InChI Key | WHYRSTZRPZXWFG-YUMQZZPRSA-N |
| MDL Number | MFCD15071834 |
| Molecular Formula | C11H19NO4 |
| Molecular Weight | 229.2729 |
| SMILES | C(C)(C)(C)OC(=O)N1[C@H]([C@H](CC1)C(=O)O)C |
| Synonyms | cis-1-[(tert-Butoxy)carbonyl]-2-methylpyrrolidine-3-carbo xylic acid,
664364-34-5,
SCHEMBL3612785,
MFCD27997479,
ZINC86255472,
CS-0079635,
(2S,3S)-1-(tert-butoxycarbonyl)-2-methylpyrrolidine-3-carboxylic acid,
2S,3S-1-[(tert-butoxy)carbonyl]-2-methylpyrrolidine-3-carboxylic acid,
|
| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.276g/mol |
| Monoisotopic Mass | 229.131g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number