2-Methyl-3-(2-methyl-imidazol-1-yl)-propionic acid
Basic information
- CAS
696646-15-8- Standard SMILES
Cc1nccn1CC(C)C(=O)O- InChIKey
BJAINAMYPIMBFX-UHFFFAOYSA-N- Molecular formula
- C8H12N2O2
- Average molar mass
- 168.19 g/mol
- Monoisotopic mass
- 168.08987763
Names & identifiers
- Preferred name
- 2-Methyl-3-(2-methyl-imidazol-1-yl)-propionic acid
- IUPAC
- 2-methyl-3-(2-methylimidazol-1-yl)propanoic acid
- English name
- 1H-Imidazole-1-propanoicacid,alpha,2-dimethyl-(9CI)
- Molecular formula
- C8H12N2O2
- Molecular weight
- 168.19
Names & synonyms
696646-15-82-methyl-3-(2-methyl-1h-imidazol-1-yl)propanoic acid2-Methyl-3-(2-methyl-imidazol-1-yl)-propionic acid2-methyl-3-(2-methylimidazol-1-yl)propanoic acidMFCD038344951H-imidazole-1-propanoic acid, alpha,2-dimethyl-2-methyl-3-(2-methylimidazolyl)propanoic acidChemDiv3_014278SCHEMBL27968526DTXSID60390055HMS1513I22ALBB-020844
Show more names
2-methyl-3-(2-methyl-1-imidazolyl)propanoic acid1H-Imidazole-1-propanoicacid,alpha,2-dimethyl-(9CI)
BBL008301SBB027840STK392426AKOS000266382AKOS016039311IDI1_030076FM129152CS-0314605
Database identifiers
- CAS
696646-15-8- PubChem CID
- 3154657
- DTXSID
DTXSID60390055
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 172
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…