3-(Carboxymethyl)-4-isopropylpyrrolidine-2-carboxylic acid

HCID 1650

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 5626-44-8
Standard SMILES: CC(C)C1CNC(C(=O)O)C1CC(=O)O
InChIKey: JQPDCKOQOOQUSC-UHFFFAOYSA-N
Molecular formula: C10H17NO4
Average molar mass: 215.25 g/mol
Monoisotopic mass: 215.11575802

Names & identifiers

Preferred name: 3-(Carboxymethyl)-4-isopropylpyrrolidine-2-carboxylic acid
IUPAC: 3-(carboxymethyl)-4-propan-2-ylpyrrolidine-2-carboxylic acid

Names & synonyms

alpha-Dihydrokainic acid-Dihydrokainic acidSCHEMBL312682153-(carboxymethyl)-4-isopropylpyrrolidine-2-carboxylic acidDB-052132DIHYDROKAINIC ACID (OPIKA-1trade mark)5626-44-8

Database identifiers

CAS: 5626-44-8
PubChem CID: 1650

Properties

Computed structural properties

XLogP: -1.7
Topological polar surface area: 86.6 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 264

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…