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Methyl (S)-Pyroglutamate

CAT: 0572-TRC-M325948-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M325948-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4931-66-2
Hazard Statement
Causes skin irritation
Smiles
COC(=O)[C@@H]1CCC(=O)N1
Molecular Formula
C6 H9 N O3
Molecular Weight
143.14
InChI
InChI=1S/C6H9NO3/c1-10-6(9)4-2-3-5(8)7-4/h4H,2-3H2,1H3,(H,7,8)/t4-/m0/s1
Additionnal Information
IUPAC name: methyl (2S)-5-oxopyrrolidine-2-carboxylate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Methyl 5-oxo-L-prolinate

Methyl L-pyroglutamate has been reported in Talaromyces pinophilus and Pseudostellaria heterophylla with data available.

CAS Number4931-66-2
PubChem CID78646
IUPAC Namemethyl (2S)-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)[C@@H]1CCC(=O)N1
InChI
InChI=1S/C6H9NO3/c1-10-6(9)4-2-3-5(8)7-4/h4H,2-3H2,1H3,(H,7,8)/t4-/m0/s1
InChIKey
HQGPKMSGXAUKHT-BYPYZUCNSA-N
Chemical Structure
2D Structure
2D structure of Methyl 5-oxo-L-prolinate
CAS: 4931-66-2
CID: 78646
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 Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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