3-(Boc-amino)pyrrolidin-2-one - CAS 99780-97-9
Catalog: |
BB042338 |
Product Name: |
3-(Boc-amino)pyrrolidin-2-one |
CAS: |
99780-97-9 |
Synonyms: |
N-(2-oxo-3-pyrrolidinyl)carbamic acid tert-butyl ester; tert-butyl N-(2-oxopyrrolidin-3-yl)carbamate |
IUPAC Name: | tert-butyl N-(2-oxopyrrolidin-3-yl)carbamate |
Description: | 3-(Boc-amino)pyrrolidin-2-one (CAS# 99780-97-9 ) is a useful research chemical. |
Molecular Weight: | 200.23 |
Molecular Formula: | C9H16N2O3 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1CCNC1=O |
InChI: | InChI=1S/C9H16N2O3/c1-9(2,3)14-8(13)11-6-4-5-10-7(6)12/h6H,4-5H2,1-3H3,(H,10,12)(H,11,13) |
InChI Key: | DVWCHAUBYVZILO-UHFFFAOYSA-N |
LogP: | 1.11930 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020131807-A1 | Inhibitors of apol1 and methods of using same | 20181217 |
WO-2019194306-A1 | Novel penam derivatives or salts thereof, pharmaceutical compositions and use thereof | 20180406 |
US-10676431-B2 | Phenylpyrrolidinone formyl peptide 2 receptor agonists | 20180305 |
US-2019270704-A1 | Phenylpyrrolidinone formyl peptide 2 receptor agonists | 20180305 |
WO-2019173182-A1 | Phenylpyrrolidinone formyl peptide 2 receptor agonists | 20180305 |
Complexity: | 245 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.11609238 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.11609238 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 67.4 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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Amines and Anilines
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