| CAS Number | 1695476-98-2 |
| Catalog Number | AG01BK3F |
| Chemical Name | 2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-(oxolan-3-yl)acetic acid |
| IUPAC Name | 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(oxolan-3-yl)acetic acid |
| InChI | InChI=1S/C21H21NO5/c23-20(24)19(13-9-10-26-11-13)22-21(25)27-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,13,18-19H,9-12H2,(H,22,25)(H,23,24) |
| InChI Key | BLVWTMAIPKJGEW-UHFFFAOYSA-N |
| MDL Number | MFCD28389395 |
| Molecular Formula | C21H21NO5 |
| Molecular Weight | 367.3951 |
| SMILES | OC(C(C1COCC1)NC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O)=O |
| Synonyms | 2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-(oxolan-3-yl)acetic acid,
1695476-98-2,
AKOS026739936,
2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-2-(oxolan-3-yl)acetic acid,
|
| Complexity | 531 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 367.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 367.401g/mol |
| Monoisotopic Mass | 367.142g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 84.9A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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