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CAT: 0127-OR1012503-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1012503-01Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
102185-34-2
MDL Number
MFCD00069687
Purity
96%
Smiles
O=C(N1[C@@H](C(ON2C(CCC2=O)=O)=O)CCC1)OC(C)(C)C

Chemical Information

1,1-Dimethylethyl (2R)-2-(((2,5-dioxo-1-pyrrolidinyl)oxy)carbonyl)-1-pyrrolidinecarboxylate
CAS Number102185-34-2
PubChem CID853884
IUPAC Name1-O-tert-butyl 2-O-(2,5-dioxopyrrolidin-1-yl) (2R)-pyrrolidine-1,2-dicarboxylate
Molecular FormulaC14H20N2O6
Molecular Weight312.32
XLogP0.7
Topological Polar Surface Area93.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity494
SMILES
CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)ON2C(=O)CCC2=O
InChI
InChI=1S/C14H20N2O6/c1-14(2,3)21-13(20)15-8-4-5-9(15)12(19)22-16-10(17)6-7-11(16)18/h9H,4-8H2,1-3H3/t9-/m1/s1
InChIKey
DICWIJISMKZDDY-SECBINFHSA-N
Chemical Structure
2D Structure
2D structure of 1,1-Dimethylethyl (2R)-2-(((2,5-dioxo-1-pyrrolidinyl)oxy)carbonyl)-1-pyrrolidinecarboxylate
CAS: 102185-34-2
CID: 853884
Formula: C14H20N2O6
MW: 312.32
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight312.32
XLogP30.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass312.13213636
Monoisotopic Mass312.13213636
Topological Polar Surface Area93.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity494
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes