| CAS Number | 1235439-65-2 |
| Catalog Number | AG01A8LO |
| Chemical Name | tert-Butyl 2-([(4-aminophenyl)carbonyloxy]methyl)pyrrolidine-1-carboxylate |
| IUPAC Name | tert-butyl 2-[(4-aminobenzoyl)oxymethyl]pyrrolidine-1-carboxylate |
| InChI | InChI=1S/C17H24N2O4/c1-17(2,3)23-16(21)19-10-4-5-14(19)11-22-15(20)12-6-8-13(18)9-7-12/h6-9,14H,4-5,10-11,18H2,1-3H3 |
| InChI Key | QLRFXKYTGSVXQJ-UHFFFAOYSA-N |
| MDL Number | MFCD16040108 |
| Molecular Formula | C17H24N2O4 |
| Molecular Weight | 320.3835 |
| SMILES | CC(OC(N1C(COC(C2=CC=C(N)C=C2)=O)CCC1)=O)(C)C |
| Synonyms | tert-butyl 2-[(4-aminobenzoyloxy)methyl]pyrrolidine-1-carboxylate,
1235439-65-2,
tert-butyl 2-{[(4-aminophenyl)carbonyloxy]methyl}pyrrolidine-1-carboxylate,
AC1Q1N4F,
AKOS008153204,
MCULE-5529628542,
NE29652,
EN300-61928,
|
| Complexity | 425 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 320.174g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 320.389g/mol |
| Monoisotopic Mass | 320.174g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 81.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number