Cyclo (Alanylglycine)

CAT: 1299-RG-A262674-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-A262674-01Size:10 mg

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CAS Number

4526-77-6

Synonyms

Cyclo (L-alanylglycyl) ; (S) -3-methylpiperazine-2,5-dione

Molecular Formula

C5H8N2O2

Molecular Weight

128.13

Product Name Synonym

Cyclo (L-alanylglycyl) ; (S) -3-methylpiperazine-2,5-dione

Chemical Information

(S)-3-methylpiperazine-2,5-dione

(3S)-3-methylpiperazine-2,5-dione has been reported in Aspergillus fumigatus with data available.

CAS Number	4526-77-6
PubChem CID	7408474
IUPAC Name	(3S)-3-methylpiperazine-2,5-dione
Molecular Formula	C5H8N2O2
Molecular Weight	128.13
XLogP	-0.9
Topological Polar Surface Area	58.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	155

SMILES

C[C@H]1C(=O)NCC(=O)N1

InChI

InChI=1S/C5H8N2O2/c1-3-5(9)6-2-4(8)7-3/h3H,2H2,1H3,(H,6,9)(H,7,8)/t3-/m0/s1

InChIKey

ICCHEGCKVBMSTF-VKHMYHEASA-N

Chemical Structure

2D Structure

CAS: 4526-77-6

CID: 7408474

Formula: C5H8N2O2

MW: 128.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	128.13
XLogP3	-0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	128.058577502
Monoisotopic Mass	128.058577502
Topological Polar Surface Area	58.2 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	155
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
A12420	L-Alanylglycine
OR1044589-01	L-Alanyl-L-alanylglycine
OR1063198-01	((Benzyloxy) carbonyl) -L-alanylglycine
MBS406125-01	cyclo
H-2485.0005	Cyclo-Somatostatin
HY-P0031-01	Cyclo (RADfK)
CRB1001365-01	Cyclo (CLLFVY)
HY-P10222	Cyclo (CRLLIF)
T82641-01	Cyclo (RGDyC)
MBS5824291	Cyclo(RGDyC)