MCCG   Click here for help

GtoPdb Ligand ID: 1439

Synonyms: MCCG-I
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 173.07
XLogP -3.35
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)C1CC1C(C(=O)O)(N)C
Isomeric SMILES OC(=O)[C@H]1C[C@@H]1[C@@](C(=O)O)(N)C
InChI InChI=1S/C7H11NO4/c1-7(8,6(11)12)4-2-3(4)5(9)10/h3-4H,2,8H2,1H3,(H,9,10)(H,11,12)/t3-,4-,7-/m0/s1
InChI Key KFACHLANPCGTFI-FVSJBQLASA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(1S,2S)-2-[(2S)-2-amino-1-hydroxy-1-oxopropan-2-yl]cyclopropane-1-carboxylic acid
Synonyms Click here for help
MCCG-I
Database Links Click here for help
CAS Registry No. 157141-16-7 (source: Scifinder)
ChEMBL Ligand CHEMBL41013
GtoPdb PubChem SID 135650569
PubChem CID 5311457
Search Google for chemical match using the InChIKey KFACHLANPCGTFI-FVSJBQLASA-N
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UniChem Compound Search for chemical match using the InChIKey KFACHLANPCGTFI-FVSJBQLASA-N
UniChem Connectivity Search for chemical match using the InChIKey KFACHLANPCGTFI-FVSJBQLASA-N