cis-3-(Boc-amino)cyclobutanecarbaldehyde - CAS 171549-91-0
Catalog: |
BB012755 |
Product Name: |
cis-3-(Boc-amino)cyclobutanecarbaldehyde |
CAS: |
171549-91-0 |
Synonyms: |
N-(3-formylcyclobutyl)carbamic acid tert-butyl ester; tert-butyl N-(3-formylcyclobutyl)carbamate |
IUPAC Name: | tert-butyl N-(3-formylcyclobutyl)carbamate |
Description: | cis-3-(Boc-amino)cyclobutanecarbaldehyde (CAS# 171549-91-0) is a useful research chemical. |
Molecular Weight: | 199.25 |
Molecular Formula: | C10H17NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1CC(C1)C=O |
InChI: | InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-8-4-7(5-8)6-12/h6-8H,4-5H2,1-3H3,(H,11,13) |
InChI Key: | KHXUZWUXKMBGES-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021190727-A1 | Compounds and their use in the treatment of bacterial infection | 20200324 |
WO-2021188948-A1 | Mdm2 degraders and uses thereof | 20200319 |
WO-2020232470-A1 | Chemical compounds | 20190513 |
US-2021188879-A1 | Chemical compounds | 20190513 |
US-2021032260-A1 | Beta-lactamase inhibitor and use thereof | 20180125 |
Complexity: | 226 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.12084340 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.12084340 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 55.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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