(R)-3-(Boc-amino)pyrrolidine - CAS 122536-77-0
Catalog: |
BB005423 |
Product Name: |
(R)-3-(Boc-amino)pyrrolidine |
CAS: |
122536-77-0 |
Synonyms: |
N-[(3R)-3-pyrrolidinyl]carbamic acid tert-butyl ester; tert-butyl N-[(3R)-pyrrolidin-3-yl]carbamate |
IUPAC Name: | tert-butyl N-[(3R)-pyrrolidin-3-yl]carbamate |
Description: | 3-(R)-(tert-Butoxycarbonylamino)pyrrolidine act as a pharmacologically active substructure in the development of antitumor, antibacterial and antiulcer compounds. |
Molecular Weight: | 186.25 |
Molecular Formula: | C9H18N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1CCNC1 |
InChI: | InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-7-4-5-10-6-7/h7,10H,4-6H2,1-3H3,(H,11,12)/t7-/m1/s1 |
InChI Key: | DQQJBEAXSOOCPG-SSDOTTSWSA-N |
Boiling Point: | 286.4 ℃ at 760 mmHg |
Purity: | ≥ 98 %, ≥ 95 % e.e. |
Density: | 1.04 g/cm3 |
Appearance: | White solid powder |
MDL: | MFCD00143191 |
LogP: | 1.59270 |
GHS Hazard Statement: | H314 (45.45%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021116446-A1 | Functionalized heterocyclic compounds as modulators of stimulator of interferon genes (sting) | 20191211 |
WO-2021116451-A1 | Heterocyclic compounds as modulators of stimulator of interferon genes (sting) | 20191211 |
WO-2021081212-A1 | Pyridopyrimidine derivatives useful as kras g12c and kras g12d inhibitors in the treatment of cancer | 20191024 |
WO-2021081375-A1 | Inhibitors of raf kinases | 20191024 |
WO-2021053617-A1 | Mll1 inhibitors and anti-cancer agents | 20190920 |
Complexity: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.136827821 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.136827821 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 50.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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