L-CCG-I   Click here for help

GtoPdb Ligand ID: 1368

Synonyms: 3,4-Cyclopropylglutamate | CCPG | L-2-(Carboxypropyl)glycine
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 100.62
Molecular weight 159.05
XLogP -3.46
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NC(C1CC1C(=O)O)C(=O)O
Isomeric SMILES N[C@@H]([C@H]1C[C@@H]1C(=O)O)C(=O)O
InChI InChI=1S/C6H9NO4/c7-4(6(10)11)2-1-3(2)5(8)9/h2-4H,1,7H2,(H,8,9)(H,10,11)/t2-,3-,4-/m0/s1
InChI Key GZOVEPYOCJWRFC-HZLVTQRSSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(1S,2S)-2-[(1S)-1-amino-2-hydroxy-2-oxoethyl]cyclopropane-1-carboxylic acid
Synonyms Click here for help
3,4-Cyclopropylglutamate | CCPG | L-2-(Carboxypropyl)glycine
Database Links Click here for help
BindingDB Ligand 50034504
CAS Registry No. 117857-93-9 (source: Scifinder)
ChEMBL Ligand CHEMBL280563
GtoPdb PubChem SID 135650510
PubChem CID 5310956
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Tocris
L-CCG-l
Cat. No. 0333