Cyclo (-D-Ala-L-Pro)

CAT: 0024-sc-294118ASize: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-294118ASize:1 g

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CAS Number

36238-64-9

Chemical Information

Cyclo(-D-Ala-L-Pro)

CAS Number	36238-64-9
PubChem CID	11902953
IUPAC Name	(3R,8aS)-3-methyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Molecular Formula	C8H12N2O2
Molecular Weight	168.19
XLogP	-0.2
Topological Polar Surface Area	49.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	239

SMILES

C[C@@H]1C(=O)N2CCC[C@H]2C(=O)N1

InChI

InChI=1S/C8H12N2O2/c1-5-8(12)10-4-2-3-6(10)7(11)9-5/h5-6H,2-4H2,1H3,(H,9,11)/t5-,6+/m1/s1

InChIKey

WSLYCILIEOFQPK-RITPCOANSA-N

Chemical Structure

2D Structure

CAS: 36238-64-9

CID: 11902953

Formula: C8H12N2O2

MW: 168.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	168.19
XLogP3	-0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	168.089877630
Monoisotopic Mass	168.089877630
Topological Polar Surface Area	49.4 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	239
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes