CID 11748882

Base Information

• Chemical Name: CID 11748882
• CAS No.: 769912-51-8
• Molecular Formula: C20H27NO3
• DSSTox Substance ID: DTXSID30471865
• Mol file: 769912-51-8.mol

Synonyms:769912-51-8;SCHEMBL7897605;SCHEMBL15492535;DTXSID30471865;(2S)-2-(1-adamantyl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetic acid;Tricyclo[3.3.1.13,7]decane-1-acetic acid, |A-[[(1R)-2-hydroxy-1-phenylethyl]amino]-, (|AS)-

Chemical Property of CID 11748882

Chemical Property:

• XLogP3: 0.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 329.19909372
• Heavy Atom Count: 24
• Complexity: 430

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2CC3CC1CC(C2)(C3)C(C(=O)O)NC(CO)C4=CC=CC=C4
• Isomeric SMILES: C1C2CC3CC1CC(C2)(C3)[C@@H](C(=O)O)N[C@@H](CO)C4=CC=CC=C4