| CAS Number | 959576-65-9 |
| Catalog Number | AG00IJLP(AGN-PC-0WBO7F) |
| Chemical Name | Boc-(Phet)Pro-OH |
| IUPAC Name | (2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(2-phenylethyl)pyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C18H25NO4/c1-17(2,3)23-16(22)19-13-7-11-18(19,15(20)21)12-10-14-8-5-4-6-9-14/h4-6,8-9H,7,10-13H2,1-3H3,(H,20,21)/t18-/m1/s1 |
| InChI Key | URLLHYVBNNPLET-GOSISDBHSA-N |
| MDL Number | MFCD06659249 |
| Molecular Formula | C18H25NO4 |
| Molecular Weight | 319.3954 |
| SMILES | CC(C)(C)OC(=O)N1CCC[C@@]1(CCC1=CC=CC=C1)C(O)=O |
| Synonyms | BOC-(PHET)PRO-OH,
959576-65-9,
BOC-(S)-ALPHA-PHENETHYL-PROLINE,
(S)-1-(tert-Butoxycarbonyl)-2-phenethylpyrrolidine-2-carboxylic acid,
AC1MC5WE,
Boc-(S)-a-phenethylproline,
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(2-phenylethyl)pyrrolidine-2-carboxylic acid,
ZINC4241019,
6206AH,
KM3391,
MFCD06659249,
AKOS015949876,
PS-12554,
(2S)-1-tert-butoxycarbonyl-2-phenethyl-proline,
(2S)-1-tert-butoxycarbonyl-2-(2-phenylethyl)pyrrolidine-2-carboxylic acid,
(2S)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-(2-phenylethyl)-2-pyrrolidinecarboxylic acid,
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenethylpyrrolidine-2-carboxylic acid,
C18H25NO4,
Boc-(S)-alpha-phenethyl-L-proline,
CID2761853,
(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenethyl-pyrrolidine-2-carboxylic Acid,
|
| Complexity | 437 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 319.178g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 319.401g/mol |
| Monoisotopic Mass | 319.178g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number