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CPP-115

CAT: 0931-T27075-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T27075-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
640897-20-7
Target
GABA Receptor, Others
Related Pathways
Neuroscience, Membrane transporter/Ion channel, Others
Bioactivity
CPP-115 is a GABA-aminotransferase inhibitor and a high-affinity vigabatrin analogue.
Smiles
C(O)(=O)[C@H]1CC(=C(F)F)[C@@H](N)C1
Molecular Formula
C7H9F2NO2
Molecular Weight
177.15
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CPP-115 free base
CAS Number640897-20-7
PubChem CID9794014
IUPAC Namecis-(1S,3S)-3-amino-4-(difluoromethylidene)cyclopentane-1-carboxylic acid
Molecular FormulaC7H9F2NO2
Molecular Weight177.15
XLogP-2.7
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity236
SMILES
C1[C@H](CC(=C(F)F)[C@H]1N)C(=O)O
InChI
InChI=1S/C7H9F2NO2/c8-6(9)4-1-3(7(11)12)2-5(4)10/h3,5H,1-2,10H2,(H,11,12)/t3-,5-/m0/s1
InChIKey
CBSRETZPFOBWNG-UCORVYFPSA-N
Chemical Structure
2D Structure
2D structure of CPP-115 free base
CAS: 640897-20-7
CID: 9794014
Formula: C7H9F2NO2
MW: 177.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight177.15
XLogP3-2.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass177.06013485
Monoisotopic Mass177.06013485
Topological Polar Surface Area63.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity236
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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