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Boc-L-hydroxyproline t-butyl ester

CAT: 0024-sc-285185Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-285185Size:1 g
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CAS Number
170850-75-6

Chemical Information

(2S,4R)-Di-tert-Butyl 4-hydroxypyrrolidine-1,2-dicarboxylate
CAS Number170850-75-6
PubChem CID7408710
IUPAC Nameditert-butyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate
Molecular FormulaC14H25NO5
Molecular Weight287.35
XLogP1.6
Topological Polar Surface Area76.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count20
Formal Charge0
Complexity380
SMILES
CC(C)(C)OC(=O)[C@@H]1C[C@H](CN1C(=O)OC(C)(C)C)O
InChI
InChI=1S/C14H25NO5/c1-13(2,3)19-11(17)10-7-9(16)8-15(10)12(18)20-14(4,5)6/h9-10,16H,7-8H2,1-6H3/t9-,10+/m1/s1
InChIKey
OXHIVNUWGSCHBD-ZJUUUORDSA-N
Chemical Structure
2D Structure
2D structure of (2S,4R)-Di-tert-Butyl 4-hydroxypyrrolidine-1,2-dicarboxylate
CAS: 170850-75-6
CID: 7408710
Formula: C14H25NO5
MW: 287.35
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight287.35
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass287.17327290
Monoisotopic Mass287.17327290
Topological Polar Surface Area76.1 Ų
Heavy Atom Count20
Formal Charge0
Complexity380
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes