Basic information
- CAS
21190-17-0- Standard SMILES
CC(CC(=O)O)c1ccc2[nH]c(=O)[nH]c2c1- InChIKey
CAWJUMGKCKILOK-UHFFFAOYSA-N- Molecular formula
- C11H12N2O3
- Average molar mass
- 220.22 g/mol
- Monoisotopic mass
- 220.08479225
Names & identifiers
- Preferred name
- 2,3-Dihydro-beta-methyl-2-oxo-1H-benzimidazole-5-propanoic acid
- IUPAC
- 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoic acid
Names & synonyms
21190-17-0RefChem:2448732,3-Dihydro-beta-methyl-2-oxo-1H-benzimidazole-5-propanoic acidOprea1_2955115-Benzimidazolinepropionic acid, .beta.-methyl-2-oxo-CAWJUMGKCKILOK-UHFFFAOYSA-NDTXSID201184295AKOS0223459023-(2-Oxo-2,3-dihydro-1H-benzimidazol-5-yl)butanoic acidButanoic acid, 3-(2,3-dihydro-2-oxobenzimidazol-5-yl)-3-(2-Oxo-2,3-dihydro-1H-benzimidazol-5-yl)butanoic acid #2,3-Dihydro-I(2)-methyl-2-oxo-1H-benzimidazole-5-propanoic acid
Database identifiers
- CAS
21190-17-0- PubChem CID
- 595402
- DTXSID
DTXSID201184295
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 306
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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