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Methyl DL-pyroglutamate

CAT: 0931-T200327-01Size: 10 gDry Ice: NoHazardous: No
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CAT#:0931-T200327-01Size:10 g
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CAS Number
54571-66-3
Bioactivity
Methyl DL-pyroglutamate is often used as an amino acid derivative model reagent in biochemical experiments and is a practical material for exploring the biochemical mechanism of lactam compounds.
Smiles
O=C(C1NC(CC1)=O)OC
Molecular Formula
C6H9NO3
Molecular Weight
143.1406
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Methyl 5-oxo-DL-prolinate

Methyl 5-oxopyrrolidine-2-carboxylate has been reported in Streptomyces and Stellaria palustris with data available.

CAS Number54571-66-3
PubChem CID500249
IUPAC Namemethyl 5-oxopyrrolidine-2-carboxylate
Molecular FormulaC6H9NO3
Molecular Weight143.14
XLogP-0.4
Topological Polar Surface Area55.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity166
SMILES
COC(=O)C1CCC(=O)N1
InChI
InChI=1S/C6H9NO3/c1-10-6(9)4-2-3-5(8)7-4/h4H,2-3H2,1H3,(H,7,8)
InChIKey
HQGPKMSGXAUKHT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 5-oxo-DL-prolinate
CAS: 54571-66-3
CID: 500249
Formula: C6H9NO3
MW: 143.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight143.14
XLogP3-0.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass143.058243149
Monoisotopic Mass143.058243149
Topological Polar Surface Area55.4 Ų
Heavy Atom Count10
Formal Charge0
Complexity166
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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