(R)-(3-Methyl-pyrrolidin-3-yl)-carbamic Acid tert-Butyl Ester - CAS 167888-15-5
Catalog: |
BB060341 |
Product Name: |
(R)-(3-Methyl-pyrrolidin-3-yl)-carbamic Acid tert-Butyl Ester |
CAS: |
167888-15-5 |
Synonyms: |
(R)-tert-Butyl[3-methylpyrrolidin-3-yl]carbamate; N-[(3R)-3-methyl-3-pyrrolidinyl]carbamic acid, 1,1-dimethylethyl ester |
IUPAC Name: | tert-butyl N-[(3R)-3-methylpyrrolidin-3-yl]carbamate |
Description: | (R)-(3-Methyl-pyrrolidin-3-yl)-carbamic Acid tert-Butyl Ester is used in the synthetic preparation of triazolopyridine compounds as PIM kinase inhibitors. |
Molecular Weight: | 200.28 |
Molecular Formula: | C10H20N2O2 |
Canonical SMILES: | CC1(CCNC1)NC(=O)OC(C)(C)C |
InChI: | InChI=1S/C10H20N2O2/c1-9(2,3)14-8(13)12-10(4)5-6-11-7-10/h11H,5-7H2,1-4H3,(H,12,13)/t10-/m1/s1 |
InChI Key: | DIQWSFWWYVRXRO-SNVBAGLBSA-N |
References: | Blake. J.F.; et al. PCT Int. Appl. 297 pp. Patent 2012 CODEN:PIXXD2. |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 223 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.152477885 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.152477885 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 50.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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