| CAS Number | 1111202-76-6 |
| Catalog Number | AG0099FR(AGN-PC-0WBRHI) |
| Chemical Name | Tert-butyl 3-amino-3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate |
| IUPAC Name | tert-butyl 3-amino-3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate |
| InChI | InChI=1S/C12H22N2O4/c1-5-17-9(15)6-12(13)7-14(8-12)10(16)18-11(2,3)4/h5-8,13H2,1-4H3 |
| InChI Key | XPXLMLCRLYNVBC-UHFFFAOYSA-N |
| MDL Number | MFCD18375085 |
| Molecular Formula | C12H22N2O4 |
| Molecular Weight | 258.3141 |
| SMILES | CCOC(CC1(CN(C(OC(C)(C)C)=O)C1)N)=O |
| Synonyms | tert-butyl 3-amino-3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate,
1111202-76-6,
3-Amino-1-Boc-3-azetidineacetic acid ethyl ester,
SCHEMBL980372,
XPXLMLCRLYNVBC-UHFFFAOYSA-N,
BBL102062,
MFCD18375085,
STL555861,
ZINC95627020,
AKOS016015784,
OR312049,
CS-0036185,
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| Complexity | 330 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.318g/mol |
| Monoisotopic Mass | 258.158g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 81.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
Lot Number