1.0 2010-04-08 22:10:47 UTC 2025-11-18 23:47:39 UTC FDB013569 (1R,2R,3S,1'R)-Nepetalinic acid Constituent of oil of catnip. (1R,2R,3S,1'R)-Nepetalinic acid is found in tea and herbs and spices. C10H16O4 200.2316 200.104859 2-(1-carboxyethyl)-5-methylcyclopentane-1-carboxylic acid 2-(1-carboxyethyl)-5-methylcyclopentane-1-carboxylic acid 32603-11-5 CC(C1CCC(C)C1C(O)=O)C(O)=O InChI=1S/C10H16O4/c1-5-3-4-7(6(2)9(11)12)8(5)10(13)14/h5-8H,3-4H2,1-2H3,(H,11,12)(H,13,14) OIFCPZGZZQQDNO-UHFFFAOYSA-N belongs to the class of organic compounds known as monocyclic monoterpenoids. These are monoterpenoids containing 1 ring in the isoprene chain. Monocyclic monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aliphatic homomonocyclic compounds Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Aliphatic homomonocyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Dicarboxylic acid or derivatives Hydrocarbon derivative Monocyclic monoterpenoid Organic oxide Organic oxygen compound Organooxygen compound logp 1.24 ALOGPS logs -1.40 ALOGPS solubility 8.00e+00 g/l ALOGPS melting_point Mp 85° logp 1.69 ChemAxon pka_strongest_acidic 4.09 ChemAxon iupac 2-(1-carboxyethyl)-5-methylcyclopentane-1-carboxylic acid ChemAxon average_mass 200.2316 ChemAxon mono_mass 200.104859 ChemAxon smiles CC(C1CCC(C)C1C(O)=O)C(O)=O ChemAxon formula C10H16O4 ChemAxon inchi InChI=1S/C10H16O4/c1-5-3-4-7(6(2)9(11)12)8(5)10(13)14/h5-8H,3-4H2,1-2H3,(H,11,12)(H,13,14) ChemAxon inchikey OIFCPZGZZQQDNO-UHFFFAOYSA-N ChemAxon polar_surface_area 74.6 ChemAxon refractivity 49.18 ChemAxon polarizability 20.26 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23971 Specdb::CMs 44117 Specdb::CMs 134549 Specdb::CMs 142283 Specdb::NmrOneD 128728 Specdb::NmrOneD 128729 Specdb::NmrOneD 128730 Specdb::NmrOneD 128731 Specdb::NmrOneD 128732 Specdb::NmrOneD 128733 Specdb::NmrOneD 128734 Specdb::NmrOneD 128735 Specdb::NmrOneD 128736 Specdb::NmrOneD 128737 Specdb::NmrOneD 128738 Specdb::NmrOneD 128739 Specdb::NmrOneD 128740 Specdb::NmrOneD 128741 Specdb::NmrOneD 128742 Specdb::NmrOneD 128743 Specdb::NmrOneD 128744 Specdb::NmrOneD 128745 Specdb::NmrOneD 128746 Specdb::NmrOneD 128747 Specdb::MsMs 75207 Specdb::MsMs 75208 Specdb::MsMs 75209 Specdb::MsMs 134802 Specdb::MsMs 134803 Specdb::MsMs 134804 Specdb::MsMs 2341248 Specdb::MsMs 2341249 Specdb::MsMs 2341250 Specdb::MsMs 2594119 Specdb::MsMs 2594120 Specdb::MsMs 2594121 HMDB0034971 Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442