3-(1-((1,1-Dimethylethoxy)carbonyl)-imidazol-5-yl)-propionic acid
Basic information
- CAS
125157-61-1- Standard SMILES
CC(C)(C)OC(=O)n1cncc1CCC(=O)O- InChIKey
HGOGWWZKLCZNNS-UHFFFAOYSA-N- Molecular formula
- C11H16N2O4
- Average molar mass
- 240.26 g/mol
- Monoisotopic mass
- 240.111007
Names & identifiers
- Preferred name
- 3-(1-((1,1-Dimethylethoxy)carbonyl)-imidazol-5-yl)-propionic acid
- IUPAC
- 3-[3-[(2-methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]propanoic acid
Names & synonyms
125157-61-13-(1-((1,1-Dimethylethoxy)carbonyl)-imidazol-5-yl)-propionic acidSCHEMBL2789678DTXSID70621549HGOGWWZKLCZNNS-UHFFFAOYSA-N3-[1-(tert-Butoxycarbonyl)-1H-imidazol-5-yl]propanoic acid
Database identifiers
- CAS
125157-61-1- PubChem CID
- 22016818
- DTXSID
DTXSID70621549
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 298
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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