| CAS Number | 1910775-98-2 |
| Catalog Number | AG01EKHM |
| Chemical Name | 2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-(trimethyl-1H-pyrazol-4-yl)acetic acid |
| IUPAC Name | 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid |
| InChI | InChI=1S/C23H23N3O4/c1-13-20(14(2)26(3)25-13)21(22(27)28)24-23(29)30-12-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19,21H,12H2,1-3H3,(H,24,29)(H,27,28) |
| InChI Key | KZDHKUMGCCRKOV-UHFFFAOYSA-N |
| MDL Number | MFCD28389331 |
| Molecular Formula | C23H23N3O4 |
| Molecular Weight | 405.4464 |
| SMILES | CC1C(C(C(O)=O)NC(OCC2C3=C(C=CC=C3)C3=C2C=CC=C3)=O)=C(C)N(C)N=1 |
| Synonyms | AKOS026739855,
2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-2-(trimethyl-1H-pyrazol-4-yl)acetic acid,
1910775-98-2,
|
| Complexity | 622 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 405.169g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 405.454g/mol |
| Monoisotopic Mass | 405.169g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 93.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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