Basic information
- CAS
51705-67-0- Standard SMILES
C[N+]1(C)CCC[C@H]1C(=O)O- InChIKey
CMUNUTVVOOHQPW-LURJTMIESA-O- Molecular formula
- C7H14NO2+
- Average molar mass
- 144.19 g/mol
- Monoisotopic mass
- 144.10245369
Overview
N,N-dimethyl-L-prolinium is a quaternary ammonium ion. It is functionally related to a L-prolinium. It is a conjugate acid of a L-proline betaine.
Names & identifiers
- Preferred name
- N,N-Dimethylproline
- IUPAC
- (2S)-1,1-dimethylpyrrolidin-1-ium-2-carboxylic acid
Names & synonyms
1,1-DIMETHYL-PROLINIUMN,N-dimethyl-L-proliniumN,N-dimethylproline1,1-Dimethyl-L-prolinium8DQ7SQ4VA9(2S)-2-carboxy-1,1-dimethylpyrrolidinium51705-67-0UNII-8DQ7SQ4VA9Pyrrolidinium, 2-carboxy-1,1-dimethyl-, (S)-CHEBI:44813RefChem:201925(2S)-1,1-dimethylpyrrolidin-1-ium-2-carboxylic acid
Show more names
1sw12b4mPrestwick0_000622Prestwick1_000622Prestwick2_000622Prestwick3_000622BSPBio_000584SCHEMBL578113
Database identifiers
- CAS
51705-67-0- PubChem CID
- 448301
- ChEBI
CHEBI:44813- UNII
- 8DQ7SQ4VA9
- Nikkaji
- J342.906G
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 1
- Complexity
- 154
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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