2-[(3,3-Dimethyl-5-oxocyclohexylidene)amino]acetic acid
Basic information
- CAS
5483-65-8- Standard SMILES
CC1(C)CC(=O)CC(=NCC(=O)O)C1- InChIKey
JSNGOAWUNRWXKD-UHFFFAOYSA-N- Molecular formula
- C10H15NO3
- Average molar mass
- 197.23 g/mol
- Monoisotopic mass
- 197.10519334
Names & identifiers
- Preferred name
- 2-[(3,3-Dimethyl-5-oxocyclohexylidene)amino]acetic acid
- IUPAC
- 2-[(3,3-dimethyl-5-oxocyclohexylidene)amino]acetic acid
Names & synonyms
5483-65-82-[(3,3-dimethyl-5-oxocyclohexylidene)amino]acetic acidN-(3,3-dimethyl-5-oxocyclohexylidene)glycineTimTec1_005045Oprea1_469029CHEMBL3209302REGID_for_CID_676799SCHEMBL27543019DTXSID10350341HMS1548F07HMS2478F23CCG-2643
Show more names
AKOS024330977(Z)-N-(3,3-Dimethyl-5-oxocyclohexylidene)glycine
Database identifiers
- CAS
5483-65-8- PubChem CID
- 676799
- DTXSID
DTXSID10350341- ChEMBL
CHEMBL3209302
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 66.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 292
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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