Basic information
- CAS
32039-73-9- Standard SMILES
C[N+]1(C)CCCC1C(=O)[O-]- InChIKey
CMUNUTVVOOHQPW-UHFFFAOYSA-N- Molecular formula
- C7H13NO2
- Average molar mass
- 143.18 g/mol
- Monoisotopic mass
- 143.09462866
Overview
1,1-Dimethylpyrrolidinium-2-carboxylate is a proline derivative.
Names & identifiers
- Preferred name
- 1,1-Dimethylpyrrolidin-1-Ium-2-Carboxylate
- IUPAC
- 1,1-dimethylpyrrolidin-1-ium-2-carboxylate
- English name
- STACHYDRINE
- Molecular formula
- C7H13NO2
- Molecular weight
- 143.185
Names & synonyms
1,1-dimethylpyrrolidin-1-ium-2-carboxylateRefChem:10518251,1-Dimethylpyrrolidinium-2-carboxylate32039-73-9NSC6552631,1-dimethylpyrrolidin-1-ium-2-carboxylic acidN, inner saltSCHEMBL1852325CHEMBL1986864CHEBI:181246s3771NSC-655263
Show more names
Pyrrolidinium, 2-carboxy-1,1-dimethyl-DB-050315
Database identifiers
- CAS
32039-73-9- PubChem CID
- 554
- DTXSID
DTXSID50274274- ChEMBL
CHEMBL1986864- ChEBI
CHEBI:181246- Nikkaji
- J2.409.991A
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 40.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 148
Chemistry & industry
Additional notes
DefinitionChEBI: 1,1-Dimethylpyrrolidinium-2-carboxylate is a proline derivative.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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