Hexahydro-2-hydroxy-2-methyl-1H-pyrrolizine-1-carboxylic acid; (1S,2S,7aS)-form
AlkaPlorer ID: AK300322
Synonym: Tussilagic acid
IUPAC Name: 2-hydroxy-2-methyl-1,3,5,6,7,8-hexahydropyrrolizine-1-carboxylic acid
Structure
SMILES: CC1(O)CN2CCCC2C1C(=O)O
InChI: InChI=1S/C9H15NO3/c1-9(13)5-10-4-2-3-6(10)7(9)8(11)12/h6-7,13H,2-5H2,1H3,(H,11,12)
InChIKey: NXSSHBBKWONHSM-UHFFFAOYSA-N
Source
Properties Information
Molecule Weight: 185.223
TPSA？: 60.77
MolLogP？: -0.0837999999999999
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 2
Activities Information
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