Basic information
- CAS
101516-98-7- Standard SMILES
CC1CC(OC(=O)C(N)c2ccccc2)CC(C)(C)C1- InChIKey
XSDOHDZHBPZCBH-UHFFFAOYSA-N- Molecular formula
- C17H25NO2
- Average molar mass
- 275.4 g/mol
- Monoisotopic mass
- 275.18852904
Names & identifiers
- Preferred name
- Glycine, 2-phenyl-, 3,3,5-trimethylcyclohexyl ester
- IUPAC
- (3,3,5-trimethylcyclohexyl) 2-amino-2-phenylacetate
Names & synonyms
101516-98-7GLYCINE, 2-PHENYL-, 3,3,5-TRIMETHYLCYCLOHEXYL ESTERRefChem:10859612-Phenylglycine 3,3,5-trimethylcyclohexyl ester3,3,5-trimethylcyclohexyl amino(phenyl)acetateDTXSID10906281AKOS010558361
Database identifiers
- CAS
101516-98-7- PubChem CID
- 58481
- DTXSID
DTXSID10906281- Nikkaji
- J127.645J
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 334
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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