Completing data — usually done within a minute
Basic information
- CAS
61045-95-2- Standard SMILES
COC(=O)c1cncn1[C@@H](C)c1ccccc1- InChIKey
FHFZEKYDSVTYLL-JTQLQIEISA-N- Molecular formula
- C13H14N2O2
- Average molar mass
- 230.26 g/mol
- Monoisotopic mass
- 230.10552769
Names & identifiers
- Preferred name
- Metomidate, (S)-
- IUPAC
- methyl 3-[(1S)-1-phenylethyl]imidazole-4-carboxylate
Names & synonyms
Metomidate, (S)-(S)-Metomidate(-)-MetomidateMetomidate, (-)-UNII-97TR88HUC361045-95-297TR88HUC31H-Imidazole-5-carboxylic acid, 1-((1S)-1-phenylethyl)-, methyl ester1H-Imidazole-5-carboxylic acid, 1-(1-phenylethyl)-, methyl ester, (S)-DTXSID20209932RefChem:158385DTXCID70132423
Show more names
CHEMBL406436methyl 1-[(1S)-1-phenylethyl]-1H-imidazole-5-carboxylateQ27272041
Database identifiers
- CAS
61045-95-2- PubChem CID
- 1129902
- DTXSID
DTXSID20209932- ChEMBL
CHEMBL406436- UNII
- 97TR88HUC3
- Nikkaji
- J239.448K
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 264
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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