| CAS Number | 2137082-40-5 |
| Catalog Number | AG01EL2M |
| Chemical Name | (S)-2-(1-(((9H-Fluoren-9-yl)methoxy)carbonyl)pyrrolidin-3-yl)acetic acid |
| IUPAC Name | 2-[(3S)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-3-yl]acetic acid |
| InChI | InChI=1S/C21H21NO4/c23-20(24)11-14-9-10-22(12-14)21(25)26-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,14,19H,9-13H2,(H,23,24)/t14-/m0/s1 |
| InChI Key | NOVFSLBJPZLTLZ-AWEZNQCLSA-N |
| MDL Number | MFCD31559945 |
| Molecular Formula | C21H21NO4 |
| Molecular Weight | 351.3957 |
| SMILES | C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)N1C[C@@H](CC1)CC(=O)O |
| Synonyms | (S)-2-(1-(((9H-fluoren-9-yl)methoxy)carbonyl)pyrrolidin-3-yl)acetic acid,
2137082-40-5,
AC1LTT7X,
ZINC1436072,
MFCD31559945,
2-[(3S)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-3-yl]acetic acid,
|
| Complexity | 514 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 351.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 351.402g/mol |
| Monoisotopic Mass | 351.147g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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