Basic information
- CAS
5872-71-9- Standard SMILES
CC1CCN(C(CC(=O)O)C(=O)O)C1- InChIKey
LKHQYWJWZAPKHV-UHFFFAOYSA-N- Molecular formula
- C9H15NO4
- Average molar mass
- 201.22 g/mol
- Monoisotopic mass
- 201.10010796
Names & identifiers
- Preferred name
- 1-Pyrrolidinesuccinic acid, beta-methyl ester, DL-
- IUPAC
- 2-(3-methylpyrrolidin-1-yl)butanedioic acid
Names & synonyms
1-Pyrrolidinesuccinic acid, beta-methyl ester, DL-5872-71-9RefChem:10571182-(3-methylpyrrolidin-1-yl)butanedioic acidDTXSID90974246
Database identifiers
- CAS
5872-71-9- PubChem CID
- 201381
- DTXSID
DTXSID90974246
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 241
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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