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Specification
The molecular formula is C6H9NO2.
The molecular weight is 127.14 g/mol.
The IUPAC name is (1S,4R)-4-aminocyclopent-2-ene-1-carboxylic acid.
The InChI is InChI=1S/C6H9NO2/c7-5-2-1-4(3-5)6(8)9/h1-2,4-5H,3,7H2,(H,8,9)/t4-,5+/m1/s1.
The InChIKey is VTCHZFWYUPZZKL-UHNVWZDZSA-N.
The canonical SMILES is C1C(C=CC1N)C(=O)O.
There are 2 hydrogen bond donor counts.
There are 3 hydrogen bond acceptor counts.
There is 1 rotatable bond count.
Yes, (-)-(1S,4R)-4-Aminocyclopent-2-enecarboxylic acid is a canonicalized compound.
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