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Boc-Pyr-Oet

CAT: 0804-HY-41631-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0804-HY-41631-01Size:100 g
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Description
Boc-Pyr-Oet is a derivative of L-Pyroglutamic acid. Boc-Pyr-Oet can be used for the synthesis of agents or other compounds[1].
CAS Number
144978-12-1
Product Name Alternative
(S) -Ethyl-N-Boc-pyroglutamate
UNSPSC
12352209
Hazard Statement
H302, H315, H319, H335
Target
Amino Acid Derivatives
Type
Peptides
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/boc-pyr-oet.html
Purity
99.52
Smiles
CCOC([C@H]1N(C(CC1)=O)C(OC(C)(C)C)=O)=O
Molecular Formula
C12H19NO5
Molecular Weight
257.29
Precautions
H302, H315, H319, H335
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature 3 years
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

1-(1,1-Dimethylethyl) 2-ethyl (2S)-5-oxo-1,2-pyrrolidinedicarboxylate

See also: N-Boc-L-Pyroglutamic acid ethylester (annotation moved to).

CAS Number144978-12-1
PubChem CID5461186
IUPAC Name1-O-tert-butyl 2-O-ethyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate
Molecular FormulaC12H19NO5
Molecular Weight257.28
XLogP1.3
Topological Polar Surface Area72.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count18
Formal Charge0
Complexity358
SMILES
CCOC(=O)[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C
InChI
InChI=1S/C12H19NO5/c1-5-17-10(15)8-6-7-9(14)13(8)11(16)18-12(2,3)4/h8H,5-7H2,1-4H3/t8-/m0/s1
InChIKey
YWWWGFSJHCFVOW-QMMMGPOBSA-N
Chemical Structure
2D Structure
2D structure of 1-(1,1-Dimethylethyl) 2-ethyl (2S)-5-oxo-1,2-pyrrolidinedicarboxylate
CAS: 144978-12-1
CID: 5461186
Formula: C12H19NO5
MW: 257.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight257.28
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass257.12632271
Monoisotopic Mass257.12632271
Topological Polar Surface Area72.9 Ų
Heavy Atom Count18
Formal Charge0
Complexity358
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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5-05292Boc-Pyr-OEt
FP108316-01Pyr-Trp-OEt
5-05279H-Pyr-OEt
5-05281H-Pyr-OEt·HCl
5-05784Boc-Gly-OEt
MBS3847951-01Boc-Hyp-OEt
A-3850.0025Boc-Pyr-OH
5-06029Boc-Ser-OEt
MBS405296-01Boc-Leu-OEt
MBS405083-01Boc-Phe-OEt

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