| CAS Number | 1593363-79-1 |
| Catalog Number | AG01A6ZL |
| Chemical Name | 1-(TERT-BUTOXYCARBONYL)-3-METHYLPYRROLIDINE-2-CARBOXYLIC ACID |
| IUPAC Name | 3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C11H19NO4/c1-7-5-6-12(8(7)9(13)14)10(15)16-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,14) |
| InChI Key | HBXAVWDHOQFJAH-UHFFFAOYSA-N |
| MDL Number | MFCD21603662 |
| Molecular Formula | C11H19NO4 |
| Molecular Weight | 229.2729 |
| SMILES | CC1C(C(O)=O)N(C(OC(C)(C)C)=O)CC1 |
| Synonyms | 1593363-79-1,
1-(tert-Butoxycarbonyl)-3-methylpyrrolidine-2-carboxylic acid,
AC1LBFIU,
rac-(3S)-1-(tert-butoxycarbonyl)-3-methyl-L-proline,
SCHEMBL627416,
trans-1-(tert-Butoxycarbonyl)-3-methylpyrrolidine-2-carboxylic acid,
HBXAVWDHOQFJAH-UHFFFAOYSA-N,
61406-66-4,
AKOS022179409,
tert-butoxycarbonyl-3-methyl-dl-proline,
1-[(tert-butoxy)carbonyl]-3-methylpyrrolidine-2-carboxylic acid,
3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid,
1-[(tert-butoxy)carbonyl]-3-methylpyrrolidine-2-carboxylic acid, Mixture of diastereomers,
N-BOC-trans-3-methyl-l-proline,
CID581834,
449758-68-3,
|
| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| 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 | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number