(3R,4R)-3-(Boc-amino)-1-Cbz-4-(hydroxymethyl)pyrrolidine - CAS 370881-64-4
Catalog: |
BB023187 |
Product Name: |
(3R,4R)-3-(Boc-amino)-1-Cbz-4-(hydroxymethyl)pyrrolidine |
CAS: |
370881-64-4 |
Synonyms: |
(3R,4R)-3-(hydroxymethyl)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester; benzyl (3R,4R)-3-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate |
IUPAC Name: | benzyl (3R,4R)-3-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate |
Description: | (3R,4R)-3-(Boc-amino)-1-Cbz-4-(hydroxymethyl)pyrrolidine (CAS# 370881-64-4 ) is a useful research chemical. |
Molecular Weight: | 350.41 |
Molecular Formula: | C18H26N2O5 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1CN(CC1CO)C(=O)OCC2=CC=CC=C2 |
InChI: | InChI=1S/C18H26N2O5/c1-18(2,3)25-16(22)19-15-10-20(9-14(15)11-21)17(23)24-12-13-7-5-4-6-8-13/h4-8,14-15,21H,9-12H2,1-3H3,(H,19,22)/t14-,15-/m0/s1 |
InChI Key: | UVYCLXXPQAPHKR-GJZGRUSLSA-N |
LogP: | 2.46940 |
Publication Number | Title | Priority Date |
US-2005065178-A1 | Substituted diazabicycloakane derivatives | 20030919 |
EP-2295437-A1 | Diazabicyclic central nervous system active agents | 20000427 |
EP-2298775-A1 | Diazabicyclic central nervous system active agents | 20000427 |
JP-2012041349-A | Diazabicyclo central nervous system active agent | 20000427 |
JP-4981232-B2 | Diazabicyclo central nervous system active agent | 20000427 |
Complexity: | 457 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 350.18417193 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 350.18417193 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 88.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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