| CAS Number | 1212278-30-2 |
| Catalog Number | AG009W22(AGN-PC-0WR1S4) |
| Chemical Name | cis-2-(((9H-Fluoren-9-yl)methoxy)carbonylamino)cyclopent-3-ene-1-carboxylic acid |
| IUPAC Name | (1R,2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopent-3-ene-1-carboxylic acid |
| InChI | InChI=1S/C21H19NO4/c23-20(24)17-10-5-11-19(17)22-21(25)26-12-18-15-8-3-1-6-13(15)14-7-2-4-9-16(14)18/h1-9,11,17-19H,10,12H2,(H,22,25)(H,23,24)/t17-,19+/m1/s1 |
| InChI Key | UNMKIEMIGPKQSA-MJGOQNOKSA-N |
| MDL Number | MFCD11505077 |
| Molecular Formula | C21H19NO4 |
| Molecular Weight | 349.3799 |
| SMILES | O=C(N[C@H]1C=CC[C@H]1C(=O)O)OCC1c2ccccc2-c2c1cccc2 |
| Synonyms | 1212278-30-2,
cis-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)cyclopent-3-ene-1-carboxylic acid,
MFCD11505077,
ZINC32099104,
OR307669,
T6313,
N-Fmoc-(+/-)-cis-amino-cyclopent-3-ene-1-carboxylic acid,
(1R,2S/1S,2R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}cyclopent-3-ene-1-carboxylic acid,
UNMKIEMIGPKQSA-MJGOQNOKSA-N,
|
| Complexity | 552 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 349.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 349.386g/mol |
| Monoisotopic Mass | 349.131g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
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Certificate of Analysis
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