| CAS Number | 959236-89-6 |
| Catalog Number | AG00IJIX(AGN-PC-0WR1LH) |
| Chemical Name | 2-(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}azetidin-3-yl)acetic acid |
| IUPAC Name | 2-[1-(9H-fluoren-9-ylmethoxycarbonyl)azetidin-3-yl]acetic acid |
| InChI | InChI=1S/C20H19NO4/c22-19(23)9-13-10-21(11-13)20(24)25-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,13,18H,9-12H2,(H,22,23) |
| InChI Key | RKRHXPLYZMPRAA-UHFFFAOYSA-N |
| MDL Number | MFCD02179124 |
| Molecular Formula | C20H19NO4 |
| Molecular Weight | 337.3692 |
| SMILES | C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)N1CC(C1)CC(=O)O |
| Synonyms | 1-Fmoc-3-azetidine acetic acid,
959236-89-6,
1-FMOC-3-CARBOXYMETHYL-AZETIDINE,
2-(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}azetidin-3-yl)acetic acid,
CTK7J2463,
ZINC2391703,
AKOS013929019,
N-FMOC-3-AZETIDINE ACETIC ACID,
DB-012046,
2-{1-[(9H-fluoren-9-ylmethoxy)carbonyl]azetidin-3-yl}acetic acid,
N/A,
|
| Complexity | 494 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 337.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 337.375g/mol |
| Monoisotopic Mass | 337.131g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number