| CAS Number | 74360-79-5 |
| Catalog Number | AG00FGPR(AGN-PC-0U50B7) |
| Chemical Name | Boc-L-Pro-NHMe |
| IUPAC Name | tert-butyl (2S)-2-(methylcarbamoyl)pyrrolidine-1-carboxylate |
| InChI | InChI=1S/C11H20N2O3/c1-11(2,3)16-10(15)13-7-5-6-8(13)9(14)12-4/h8H,5-7H2,1-4H3,(H,12,14)/t8-/m0/s1 |
| InChI Key | JTLUSFVWHVIZGT-QMMMGPOBSA-N |
| MDL Number | MFCD16036316 |
| Molecular Formula | C11H20N2O3 |
| Molecular Weight | 228.2881 |
| SMILES | O=C(N1[C@H](C(NC)=O)CCC1)OC(C)(C)C |
| Synonyms | 74360-79-5,
(S)-1-Boc-N-methylpyrrolidine-2-carboxamide,
Boc-L-Pro-NHMe,
1-[tert-Butoxycarbonyl]-N-methyl-L-prolinamide,
(S)-TERT-BUTYL 2-(METHYLCARBAMOYL)PYRROLIDINE-1-CARBOXYLATE,
SCHEMBL5403510,
Tert-butyl (2S)-2-(methylcarbamoyl)pyrrolidine-1-carboxylate,
ZINC34199797,
SC-20846,
DB-074813,
N-Methyl-1-(tert-butoxycarbonyl)prolinamide,
FT-0772705,
(S)-tert-butyl 2-(methylcarbamoyl)pyrrolidine-1-ca,
(S)-2-Methylcarbamoyl-pyrrolidine-1-carboxylic acid tert-butyl ester,
2-Methyl-2-propanyl (2S)-2-(methylcarbamoyl)-1-pyrrolidinecarboxy late,
CID10376478,
|
| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.292g/mol |
| Monoisotopic Mass | 228.147g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number