| CAS Number | 1219183-23-9 |
| Catalog Number | AG01EKDU |
| Chemical Name | 2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-(2-methoxyphenyl)acetic acid |
| IUPAC Name | 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(2-methoxyphenyl)acetic acid |
| InChI | InChI=1S/C24H21NO5/c1-29-21-13-7-6-12-19(21)22(23(26)27)25-24(28)30-14-20-17-10-4-2-8-15(17)16-9-3-5-11-18(16)20/h2-13,20,22H,14H2,1H3,(H,25,28)(H,26,27) |
| InChI Key | LZAACEXURLBYEU-UHFFFAOYSA-N |
| MDL Number | MFCD09750504 |
| Molecular Formula | C24H21NO5 |
| Molecular Weight | 403.4272 |
| SMILES | COC1=C(C(C(O)=O)NC(OCC2C3=C(C=CC=C3)C3=C2C=CC=C3)=O)C=CC=C1 |
| Synonyms | AKOS016344273,
BB 0260386,
2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-2-(2-methoxyphenyl)acetic acid,
1219183-23-9,
(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-(2-methoxyphenyl)acetic acid,
1176648-58-0,
(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-(2-methoxyphenyl)acetic acid,
1217838-25-9,
|
| Complexity | 588 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 403.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 403.434g/mol |
| Monoisotopic Mass | 403.142g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 84.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number