| CAS Number | 1330763-68-2 |
| Catalog Number | AG00HSR8(AGN-PC-0WG4LY) |
| Chemical Name | tert-Butyl 1-(((benzyloxy)carbonyl)amino)-3-azabicyclo[3.2.0]heptane-3-carboxylate |
| IUPAC Name | tert-butyl 1-(phenylmethoxycarbonylamino)-3-azabicyclo[3.2.0]heptane-3-carboxylate |
| InChI | InChI=1S/C19H26N2O4/c1-18(2,3)25-17(23)21-11-15-9-10-19(15,13-21)20-16(22)24-12-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,20,22) |
| InChI Key | VAKDIUWABBBKQN-UHFFFAOYSA-N |
| MDL Number | MFCD20230926 |
| Molecular Formula | C19H26N2O4 |
| Molecular Weight | 346.4207 |
| SMILES | CC(C)(C)OC(=O)N1CC2CCC2(C1)NC(=O)OCc1ccccc1 |
| Synonyms | 1330763-68-2,
tert-butyl 1-(benzyloxycarbonylamino)-3-azabicyclo[3.2.0]heptane-3-carboxylate,
tert-Butyl 1-(((benzyloxy)carbonyl)amino)-3-azabicyclo[3.2.0]heptane-3-carboxylate,
MFCD20230926,
AM804810,
CS-0036738,
t-Butyl 1-(benzyloxycarbonylamino)-3-azabicyclo[3.2.0]heptane-3-carboxylate,
tert-Butyl 5-(phenylmethoxycarbonylamino)-3-azabicyclo[3.2.0]heptane-3-carboxylate,
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| Complexity | 510 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 346.189g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 346.427g/mol |
| Monoisotopic Mass | 346.189g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 67.9A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number