4-(6-Carboxyhepta-2,4-dien-2-yl)-3-(carboxymethyl)proline

HCID 3150

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 123406-51-9
Standard SMILES: CC(=CC=CC(C)C(=O)O)C1CNC(C(=O)O)C1CC(=O)O
InChIKey: VZFRNCSOCOPNDB-UHFFFAOYSA-N
Molecular formula: C15H21NO6
Average molar mass: 311.33 g/mol
Monoisotopic mass: 311.13688739

Overview

(-)-Domoic acid has been reported in Chondria armata with data available.

Names & identifiers

Preferred name: 4-(6-Carboxyhepta-2,4-dien-2-yl)-3-(carboxymethyl)proline
IUPAC: 4-(6-carboxyhepta-2,4-dien-2-yl)-3-(carboxymethyl)pyrrolidine-2-carboxylic acid

Names & synonyms

123406-51-9DTXSID60864483NS000065594-(6-carboxyhepta-2,4-dien-2-yl)-3-(carboxymethyl)proline3-(carboxymethyl)-4-(5-carboxy-1-methyl-hexa-1,3-dienyl)pyrrolidine-2-carboxylic acid3-Pyrrolidineacetic acid, 2-carboxy-4-(5-carboxy-1-methyl-1,3-hexadien-1-yl)-

Database identifiers

CAS: 123406-51-9
PubChem CID: 3150
DTXSID: DTXSID60864483

Properties

Computed structural properties

XLogP: -1.3
Topological polar surface area: 124 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 7
Rotatable bonds: 7
Heavy atoms: 22
Formal charge: 0
Complexity: 510

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…