| CAS Number | 284492-02-0 |
| Catalog Number | AG00BBK3(AGN-PC-0R42W4) |
| Chemical Name | 3-N-Fmoc-3-(4-methoxyphenyl)propionic acid |
| IUPAC Name | 3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-methoxyphenyl)propanoic acid |
| InChI | InChI=1S/C25H23NO5/c1-30-17-12-10-16(11-13-17)23(14-24(27)28)26-25(29)31-15-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-13,22-23H,14-15H2,1H3,(H,26,29)(H,27,28) |
| InChI Key | GXOCWIPOYXOZAF-UHFFFAOYSA-N |
| MDL Number | MFCD01863194 |
| Molecular Formula | C25H23NO5 |
| Molecular Weight | 417.4538 |
| SMILES | C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)NC(CC(=O)O)C1=CC=C(C=C1)OC |
| Synonyms | 284492-02-0,
3-N-FMOC-3-(4-METHOXYPHENYL)PROPIONIC ACID,
3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-methoxyphenyl)propanoic acid,
AC1MBZV4,
3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-methoxyphenyl)propanoic Acid,
AKOS027382878,
ACM284492020,
BBV-38260253,
4CH-024614,
3-N-FMOC-3- PROPIONICACID,
CID2759198,
(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-methoxyphenyl)propanoic acid,
501015-30-1,
(R)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-methoxyphenyl)propanoic acid,
511272-33-6,
3-(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(4-methoxyphenyl)-propanoic acid,
|
| Complexity | 595 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 417.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 417.461g/mol |
| Monoisotopic Mass | 417.158g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 84.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number