N-[3-Amino-1-(cyclobutylmethyl)-2-hydroxy-3-oxopropyl]-carbamic Acid 1,1-Dimethylethyl Ester - CAS 394735-22-9
Catalog: |
BB061334 |
Product Name: |
N-[3-Amino-1-(cyclobutylmethyl)-2-hydroxy-3-oxopropyl]-carbamic Acid 1,1-Dimethylethyl Ester |
CAS: |
394735-22-9 |
Synonyms: |
3-(tert-Butoxycarbonylamino)-4-cyclobutyl-2-hydroxybutanamide |
IUPAC Name: | tert-butyl N-(4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl)carbamate |
Description: | Used in the preparation of hepatitis C virus (HCV) NS3 serine protease inhibitor. |
Molecular Weight: | 272.34 |
Molecular Formula: | C13H24N2O4 |
Canonical SMILES: | CC(C)(C)OC(=O)NC(CC1CCC1)C(C(=O)N)O |
InChI: | InChI=1S/C13H24N2O4/c1-13(2,3)19-12(18)15-9(10(16)11(14)17)7-8-5-4-6-8/h8-10,16H,4-7H2,1-3H3,(H2,14,17)(H,15,18) |
InChI Key: | KCDNFVJMBIUAFE-UHFFFAOYSA-N |
Solubility: | Dichloromethane, Ethyl Acetate, Methanol |
Appearance: | White Solid |
Complexity: | 334 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 272.17360725 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 272.17360725 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 102Ų |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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