1-Acetyl-2-isobutyl-2,5-dihydro-1H-pyrrole-2-carboxylic acid
Basic information
- CAS
203051-17-6- Standard SMILES
CC(=O)N1CC=CC1(CC(C)C)C(=O)O- InChIKey
YEWQYDGLACKHHN-UHFFFAOYSA-N- Molecular formula
- C11H17NO3
- Average molar mass
- 211.26 g/mol
- Monoisotopic mass
- 211.1208434
Names & identifiers
- Preferred name
- 1-Acetyl-2-isobutyl-2,5-dihydro-1H-pyrrole-2-carboxylic acid
- IUPAC
- 1-acetyl-5-(2-methylpropyl)-2H-pyrrole-5-carboxylic acid
- English name
- 1H-Pyrrole-2-carboxylic acid, 1-acetyl-2,5-dihydro-2-(2-methylpropyl)-
- Molecular formula
- C11H17NO3
- Molecular weight
- 211.26
Names & synonyms
203051-17-6UPCMLD08ADHK0010091-Acetyl-2-isobutyl-2,5-dihydro-1H-pyrrole-2-carboxylic acidNCGC00092173-01DTXSID90420076CMLD4_000378SDCCGMLS-0091349.P0011-Acetyl-2-(2-methylpropyl)-2,5-dihydro-1H-pyrrole-2-carboxylic acid1H-Pyrrole-2-carboxylic acid, 1-acetyl-2,5-dihydro-2-(2-methylpropyl)-
Database identifiers
- CAS
203051-17-6- PubChem CID
- 5459645
- DTXSID
DTXSID90420076
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 309
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Compound notes
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