| CAS Number | 160885-93-8 |
| Catalog Number | AG01AJMZ(AGN-PC-0WOFFT) |
| Chemical Name | 2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-methylbutanoic acid |
| IUPAC Name | 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylbutanoic acid |
| InChI | InChI=1S/C20H21NO4/c1-3-20(2,18(22)23)21-19(24)25-12-17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17/h4-11,17H,3,12H2,1-2H3,(H,21,24)(H,22,23) |
| InChI Key | DZSLHAJXIQCMLR-UHFFFAOYSA-N |
| MDL Number | MFCD23724124 |
| Molecular Formula | C20H21NO4 |
| Molecular Weight | 339.3850 |
| SMILES | CCC(C(O)=O)(NC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O)C |
| Synonyms | N-Fmoc-DL-isovaline,
160885-93-8,
Fmoc-D-isovaline,
2-{[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]AMINO}-2-METHYLBUTANOIC ACID,
Fmoc--L-isovaline,
AKOS017406370,
CS-0088116,
2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-methylbutanoic acid,
(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-methylbutanoic acid,
857478-30-9,
(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-methylbutanoic acid,
1231709-22-0,
|
| Complexity | 486 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 339.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 339.391g/mol |
| Monoisotopic Mass | 339.147g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number