| CAS Number | 1013997-51-7 |
| Catalog Number | AG00H9GS(AGN-PC-0WQYD3) |
| Chemical Name | (S)-3-(1-Fmoc-pyrrolidin-2-yl)-propionic acid |
| IUPAC Name | 3-[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-2-yl]propanoic acid |
| InChI | InChI=1S/C22H23NO4/c24-21(25)12-11-15-6-5-13-23(15)22(26)27-14-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-4,7-10,15,20H,5-6,11-14H2,(H,24,25)/t15-/m0/s1 |
| InChI Key | IFUWGSCZSKIAIA-HNNXBMFYSA-N |
| MDL Number | MFCD09952617 |
| Molecular Formula | C22H23NO4 |
| Molecular Weight | 365.4223 |
| SMILES | OC(CC[C@H]1N(C(OCC2C3=C(C=CC=C3)C3=C2C=CC=C3)=O)CCC1)=O |
| Synonyms | (S)-3-(1-Fmoc-pyrrolidin-2-yl)-propionic acid,
1013997-51-7,
(S)-3-(1-(((9H-Fluoren-9-yl)methoxy)carbonyl)pyrrolidin-2-yl)propanoic acid,
MFCD09952617,
ZINC39778400,
A-8254,
(S)-3-(1-Fmoc-pyrrolidin-2-yl)propionic acid,
(S)-3-(1-Fmoc-pyrrolidin-2-yl)-propionic acid, AldrichCPR,
|
| Complexity | 528 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 365.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 365.429g/mol |
| Monoisotopic Mass | 365.163g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number