(3S)-3-(carboxymethyl)-4-prop-1-en-2-yl-pyrrolidine-2-carboxylic acid hydrate

Systemtic Name: (3S)-3-(carboxymethyl)-4-prop-1-en-2-yl-pyrrolidine-2-carboxylic acid hydrate Openeye Name: (3S)-3-(carboxymethyl)-4-isopropenyl-pyrrolidine-2-carboxylic acid hydrate CAS Name: (3S)-3-(carboxymethyl)-4-(1-methylethenyl)-2-pyrrolidinecarboxylic acid hydrate IUPAC Name: (3S)-3-(carboxymethyl)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid hydrate Traditional Name: (3S)-3-(carboxymethyl)-4-isopropenyl-proline hydrate Formula: C10H17NO5 MolecularWeight: 231.24568

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CNC(C1CC(=O)O)C(=O)O.O

Isomeric SMILES

CC(=C)C1CNC([C@H]1CC(=O)O)C(=O)O.O

InChI

InChI=1S/C10H15NO4.H2O/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13;/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15);1H2/t6-,7?,9?;/m0./s1