| CAS Number | 180181-98-0 |
| Catalog Number | AG01A719(AGN-PC-0WOFFC) |
| Chemical Name | 2-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]-3-methylbutanoic acid |
| IUPAC Name | 2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-methylbutanoic acid |
| InChI | InChI=1S/C21H23NO4/c1-13(2)18(20(23)24)11-22-21(25)26-12-19-16-9-5-3-7-14(16)15-8-4-6-10-17(15)19/h3-10,13,18-19H,11-12H2,1-2H3,(H,22,25)(H,23,24) |
| InChI Key | WVHQNPPGMKCPTP-UHFFFAOYSA-N |
| MDL Number | MFCD18433227 |
| Molecular Formula | C21H23NO4 |
| Molecular Weight | 353.4116 |
| SMILES | CC(C(C(O)=O)CNC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O)C |
| Synonyms | 180181-98-0,
2-({[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]AMINO}METHYL)-3-METHYLBUTANOIC ACID,
AK119230,
AK119234,
(2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-methylbutanoic acid,
(2S)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-methylbutanoic acid,
AKOS014549165,
Z1805585575,
2-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]-3-methylbutanoic acid,
203854-59-5,
501331-02-8,
(R)-2-(((((9H-fluoren-9-yl)methoxy)carbonyl)amino)methyl)-3-methylbutanoic acid,
(S)-2-(((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)methyl)-3-methylbutanoic acid,
|
| Complexity | 484 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 353.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 353.418g/mol |
| Monoisotopic Mass | 353.163g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number