| CAS Number | 1820575-73-2 |
| Catalog Number | AG0023AT(AGN-PC-0WR0K9) |
| Chemical Name | (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-cyanopropanoic acid |
| IUPAC Name | (2R)-3-cyano-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid |
| InChI | InChI=1S/C19H16N2O4/c20-10-9-17(18(22)23)21-19(24)25-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-17H,9,11H2,(H,21,24)(H,22,23)/t17-/m1/s1 |
| InChI Key | FJSOTHAUCCEZLI-QGZVFWFLSA-N |
| MDL Number | MFCD01861377 |
| Molecular Formula | C19H16N2O4 |
| Molecular Weight | 336.3413 |
| SMILES | O=C(O)[C@H](NC(OCC1C2=CC=CC=C2C3=CC=CC=C13)=O)CC#N |
| Synonyms | (R)-2-Fmoc-amino-3-cyanopropanoic acid,
1820575-73-2,
Fmoc-D-Ala(3-CN)-OH,
MFCD01861377,
SC5003,
ZINC34309848,
Propanoic acid, 3-cyano-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (2R)-,
(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-cyanopropanoic acid,
127273-06-7,
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| Complexity | 533 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 336.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 336.347g/mol |
| Monoisotopic Mass | 336.111g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 99.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number