| CAS Number | 1354752-82-1 |
| Catalog Number | AG00HU5U(AGN-PC-0WR0KQ) |
| Chemical Name | (S)-Fmoc-3-benzyl-piperidine-3-carboxylic acid |
| IUPAC Name | (3S)-3-benzyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acid |
| InChI | InChI=1S/C28H27NO4/c30-26(31)28(17-20-9-2-1-3-10-20)15-8-16-29(19-28)27(32)33-18-25-23-13-6-4-11-21(23)22-12-5-7-14-24(22)25/h1-7,9-14,25H,8,15-19H2,(H,30,31)/t28-/m0/s1 |
| InChI Key | MPPGEVRAOIMFQJ-NDEPHWFRSA-N |
| MDL Number | MFCD26793615 |
| Molecular Formula | C28H27NO4 |
| Molecular Weight | 441.5183 |
| SMILES | C(=O)(OCC1C2=CC=CC=C2C2=CC=CC=C12)N1C[C@@](CCC1)(C(=O)O)CC1=CC=CC=C1 |
| Synonyms | (S)-Fmoc-3-benzyl-piperidine-3-carboxylic acid,
1354752-82-1,
MFCD26793615,
ZINC96308762,
|
| Complexity | 682 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 441.194g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 441.527g/mol |
| Monoisotopic Mass | 441.194g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number