| CAS Number | 1260605-12-6 |
| Catalog Number | AG01DV4Z |
| Chemical Name | (3S)-3-cyclopropyl-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid |
| IUPAC Name | (3S)-3-cyclopropyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid |
| InChI | InChI=1S/C21H21NO4/c23-20(24)11-19(13-9-10-13)22-21(25)26-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,13,18-19H,9-12H2,(H,22,25)(H,23,24)/t19-/m0/s1 |
| InChI Key | KQKYKWUUVQMRPX-IBGZPJMESA-N |
| MDL Number | MFCD06227986 |
| Molecular Formula | C21H21NO4 |
| Molecular Weight | 351.3957 |
| SMILES | C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)N[C@@H](CC(=O)O)C1CC1 |
| Synonyms | (S)-3-CYCLOPROPYL-3-(9H-FLUOREN-9-YLMETHOXYCARBONYLAMINO)-PROPIONIC ACID,
1260605-12-6,
ZINC38580514,
AB23532,
J3.656.331A,
(S)-3-[(9H-Fluorene-9-ylmethoxycarbonyl)amino]-3-cyclopropylpropanoic acid,
(3S)-3-cyclopropyl-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid,
|
| Complexity | 510 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 351.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 351.402g/mol |
| Monoisotopic Mass | 351.147g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number