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Boc-L-Pyroglutamic acid methyl ester

CAT: 0926-FB15322-01Size: 0.1 KgDry Ice: NoHazardous: No
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CAT#:0926-FB15322-01Size:0.1 Kg
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CAS Number
108963-96-8
MDL Number
MFCD06809720
Smiles
CC (C) (C) OC (=O) N1[C@@H] (CCC1=O) C (=O) OC
Molecular Formula
C11H17NO5
Molecular Weight
243.26 g/mol
Controlled
No

Chemical Information

1-O-tert-butyl 2-O-methyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate
CAS Number108963-96-8
PubChem CID10868485
IUPAC Name1-O-tert-butyl 2-O-methyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate
Molecular FormulaC11H17NO5
Molecular Weight243.26
XLogP0.9
Topological Polar Surface Area72.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count17
Formal Charge0
Complexity344
SMILES
CC(C)(C)OC(=O)N1[C@@H](CCC1=O)C(=O)OC
InChI
InChI=1S/C11H17NO5/c1-11(2,3)17-10(15)12-7(9(14)16-4)5-6-8(12)13/h7H,5-6H2,1-4H3/t7-/m0/s1
InChIKey
FNTAOUUEQHKLIU-ZETCQYMHSA-N
Chemical Structure
2D Structure
2D structure of 1-O-tert-butyl 2-O-methyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate
CAS: 108963-96-8
CID: 10868485
Formula: C11H17NO5
MW: 243.26
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight243.26
XLogP30.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass243.11067264
Monoisotopic Mass243.11067264
Topological Polar Surface Area72.9 Ų
Heavy Atom Count17
Formal Charge0
Complexity344
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