4-(Cbz-amino)-2-butanone - CAS 95484-17-6
Catalog: |
BB041732 |
Product Name: |
4-(Cbz-amino)-2-butanone |
CAS: |
95484-17-6 |
Synonyms: |
N-(3-oxobutyl)carbamic acid (phenylmethyl) ester; benzyl N-(3-oxobutyl)carbamate |
IUPAC Name: | benzyl N-(3-oxobutyl)carbamate |
Description: | 4-(Cbz-amino)-2-butanone (CAS# 95484-17-6 ) is a useful research chemical. |
Molecular Weight: | 221.25 |
Molecular Formula: | C12H15NO3 |
Canonical SMILES: | CC(=O)CCNC(=O)OCC1=CC=CC=C1 |
InChI: | InChI=1S/C12H15NO3/c1-10(14)7-8-13-12(15)16-9-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H,13,15) |
InChI Key: | QVWVVHRNMKYYBJ-UHFFFAOYSA-N |
LogP: | 2.28280 |
Publication Number | Title | Priority Date |
US-10377748-B2 | Hepatitis B core protein modulators | 20150915 |
US-2020131168-A1 | Hepatitis b core protein modulators | 20150915 |
WO-2017048950-A1 | Hepatitis b core protein modulators | 20150915 |
EP-3782626-A1 | Hepatitis b core protein modulators | 20150915 |
US-10968211-B2 | Hepatitis B core protein modulators | 20150915 |
Complexity: | 234 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.10519334 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.10519334 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 55.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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