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Cyclo(-Ala-Gln)

CAT: 0572-TRC-C994590-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C994590-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
268221-76-7
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
C(CC(N)=O)[C@H]1C(=O)N[C@@H](C)C(=O)N1
Molecular Formula
C8 H13 N3 O3
Molecular Weight
199.207
InChI
InChI=1S/C8H13N3O3/c1-4-7(13)11-5(8(14)10-4)2-3-6(9)12/h4-5H,2-3H2,1H3,(H2,9,12)(H,10,14)(H,11,13)/t4-,5-/m0/s1
Additionnal Information
IUPAC name: 3-[(2S,5S)-5-methyl-3,6-dioxopiperazin-2-yl]propanamide
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Cyclo(-ala-gln)
CAS Number268221-76-7
PubChem CID9209568
IUPAC Name3-[(2S,5S)-5-methyl-3,6-dioxopiperazin-2-yl]propanamide
Molecular FormulaC8H13N3O3
Molecular Weight199.21
XLogP-1.7
Topological Polar Surface Area101
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity277
SMILES
C[C@H]1C(=O)N[C@H](C(=O)N1)CCC(=O)N
InChI
InChI=1S/C8H13N3O3/c1-4-7(13)11-5(8(14)10-4)2-3-6(9)12/h4-5H,2-3H2,1H3,(H2,9,12)(H,10,14)(H,11,13)/t4-,5-/m0/s1
InChIKey
PNSKRAHOHQWAAN-WHFBIAKZSA-N
Chemical Structure
2D Structure
2D structure of Cyclo(-ala-gln)
CAS: 268221-76-7
CID: 9209568
Formula: C8H13N3O3
MW: 199.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight199.21
XLogP3-1.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass199.09569129
Monoisotopic Mass199.09569129
Topological Polar Surface Area101 Ų
Heavy Atom Count14
Formal Charge0
Complexity277
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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