1-Boc-3-amino-3-(hydroxymethyl)pyrrolidine - CAS 889949-18-2
Catalog: |
BB039306 |
Product Name: |
1-Boc-3-amino-3-(hydroxymethyl)pyrrolidine |
CAS: |
889949-18-2 |
Synonyms: |
3-amino-3-(hydroxymethyl)-1-pyrrolidinecarboxylic acid tert-butyl ester; tert-butyl 3-amino-3-(hydroxymethyl)pyrrolidine-1-carboxylate |
IUPAC Name: | tert-butyl 3-amino-3-(hydroxymethyl)pyrrolidine-1-carboxylate |
Description: | 1-Boc-3-amino-3-(hydroxymethyl)pyrrolidine (CAS# 889949-18-2) is a useful research chemical. |
Molecular Weight: | 216.28 |
Molecular Formula: | C10H20N2O3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC(C1)(CO)N |
InChI: | InChI=1S/C10H20N2O3/c1-9(2,3)15-8(14)12-5-4-10(11,6-12)7-13/h13H,4-7,11H2,1-3H3 |
InChI Key: | BAMSJMDJDXMZDC-UHFFFAOYSA-N |
Boiling Point: | 317.9 °C at 760 mmHg |
Density: | 1.129 g/cm3 |
Appearance: | Solid |
LogP: | 0.95520 |
Publication Number | Title | Priority Date |
EP-3865489-A1 | Spirocyclic inhibitors of hepatitis b virus | 20200211 |
WO-2021160617-A1 | Spirocyclic inhibitors of hepatitis b virus | 20200211 |
EP-3523292-A1 | Heteroaryl compounds and their use as mer inhibitors | 20161010 |
US-2019315716-A1 | Heteroaryl compounds and their use as mer inhibitors | 20161010 |
WO-2018071343-A1 | Heteroaryl compounds and their use as mer inhibitors | 20161010 |
Complexity: | 250 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.1473925 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.1473925 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 75.8 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.5 |
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