trans-1-Boc-4-methylpyrrolidine-3-carboxylic Acid - CAS 1253791-53-5
Catalog: |
BB006107 |
Product Name: |
trans-1-Boc-4-methylpyrrolidine-3-carboxylic Acid |
CAS: |
1253791-53-5 |
Synonyms: |
(3R,4R)-4-methyl-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-pyrrolidinecarboxylic acid; (3R,4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid |
IUPAC Name: | (3R,4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid |
Description: | trans-1-Boc-4-methylpyrrolidine-3-carboxylic Acid (CAS# 1253791-53-5) is a useful research chemical. |
Molecular Weight: | 229.30 |
Molecular Formula: | C11H19NO4 |
Canonical SMILES: | CC1CN(CC1C(=O)O)C(=O)OC(C)(C)C |
InChI: | InChI=1S/C11H19NO4/c1-7-5-12(6-8(7)9(13)14)10(15)16-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,14)/t7-,8-/m0/s1 |
InChI Key: | IPLCSDCAWNDONJ-YUMQZZPRSA-N |
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 |
US-2019307754-A1 | Pde9 inhibitors for treatment of peripheral diseases | 20160706 |
US-2021085684-A1 | Pde9 inhibitors for treatment of peripheral diseases | 20160706 |
EP-3416960-A1 | Novel compounds | 20160218 |
JP-2019509274-A | New compound | 20160218 |
US-10640498-B2 | Compounds | 20160218 |
Complexity: | 295 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.13140809 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.13140809 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 66.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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