3-Butyl-5-oxopyrrolidine-2-carboxylic acid
Basic information
- CAS
2446-09-5- Standard SMILES
CCCCC1CC(=O)NC1C(=O)O- InChIKey
LIZIEVANDVAGMD-UHFFFAOYSA-N- Molecular formula
- C9H15NO3
- Average molar mass
- 185.22 g/mol
- Monoisotopic mass
- 185.10519334
Names & identifiers
- Preferred name
- 3-Butyl-5-oxopyrrolidine-2-carboxylic acid
- IUPAC
- 3-butyl-5-oxopyrrolidine-2-carboxylic acid
- English name
- 3-butyl-5-oxo-pyrrolidine-2-carboxylic acid
- Molecular formula
- C9H15NO3
- Molecular weight
- 0
Names & synonyms
2446-09-5NSC83643DTXSID70947332NSC-836433-Butyl-5-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid3-butyl-5-oxo-pyrrolidine-2-carboxylic acid
Database identifiers
- CAS
2446-09-5- PubChem CID
- 256629
- DTXSID
DTXSID70947332
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 215
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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